SCHEMBL728685

SCHEMBL728685

Cc1ccc(C(=O)C2CC2)cc1

nearest known ligand 0.72

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.72
MEN1 O00255 2/20 0.72
CYP2D6 P10635 1/20 0.72
MGLL Q99685 2/20 0.58
HSD11B1 P28845 1/20 0.58
HTT P42858 1/20 0.58
POLB P06746 1/20 0.57
NPC1 O15118 1/20 0.56
RAB9A P51151 1/20 0.56
ALDH1A1 P00352 4/20 0.55
LMNA P02545 3/20 0.55
DRD4 P21917 1/20 0.53
DRD3 P35462 1/20 0.53
CES2 O00748 1/20 0.52
CES1 P23141 1/20 0.52
TSHR P16473 1/20 0.51
KCNH2 Q12809 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.50

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Bicarbonate SCHEMBL11484457 0.96 KMT2A (0.68) KMT2AMEN1CYP2D6MGLLHSD11B1
SCHEMBL14596908 0.92 KMT2A (0.64) KMT2AMEN1CYP2D6MGLLHSD11B1
SCHEMBL8119800 0.91 KMT2A (0.68) KMT2AMEN1CYP2D6MGLLHSD11B1
SCHEMBL507614 0.90 KMT2A (0.66) KMT2AMEN1CYP2D6MGLLHSD11B1
SCHEMBL22542168 0.87 KMT2A (0.58) KMT2AMEN1CYP2D6MGLLHSD11B1
SCHEMBL18084742 0.87 KMT2A (0.58) KMT2AMEN1CYP2D6MGLLHSD11B1
SCHEMBL17914339 0.87 KMT2A (0.58) KMT2AMEN1CYP2D6MGLLHSD11B1
SCHEMBL4670951 0.86 KMT2A (0.62) KMT2AMEN1CYP2D6MGLLHSD11B1
SCHEMBL20134881 0.86 POLB (0.62) KMT2AMEN1CYP2D6MGLLHSD11B1
SCHEMBL1582773 0.86 KMT2A (0.96) KMT2AMEN1CYP2D6MGLLHSD11B1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 143 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030220496-A1 Novel intermediates useful for the preparation of antihistaminic piperidine derivatives MERRELL PHARMACEUTICALS, INC. 2003-11-27 US claimed
US-6548675-B2 1-Cyclopropylcarbonyl-2-hydroxy(optional),4-isopropylbenzene used as starting materials for 1-((2-hydroxy(optional),4-alkylphenyl)carbonylalkyl-),4-(diphenylmethyl -)piperidine derivatives; antihistamines; antiallergens; bronchodilators MERRELL PHARMACEUTICALS INC. 2003-04-15 US claimed
US-20020198407-A1 Novel intermediates useful for the preparation of antihistaminic piperidine derivatives MERRELL PHARMACEUTICALS INC. 2002-12-26 US claimed
EP-1260504-A1 Process for the preparation of antihistaminic 4-diphenylmethyl piperidine derivatives MERRELL PHARMACEUTICALS INC. (US) 2002-11-27 EP claimed
US-20020077482-A1 Novel intermediates useful for the preparation of antihistaminic piperidine derivatives MERRELL DOW PHARMACEUTICALS INC. 2002-06-20 US claimed
US-20020007085-A1 Novel intermediates useful for the preparation of antihistaminic piperidine derivatives MERRELL PHARMACEUTICALS INC. 2002-01-17 US claimed
US-20010031895-A1 Novel intermediates useful for the preparation of antihistaminic piperidine derivatives MERRELL DOW PHARMACEUTICALS INC. 2001-10-18 US claimed
US-20010021791-A1 Novel intermediates useful for the preparation of antihistaminic piperidine derivatives MERRELL PHARMACEUTICALS INC. 2001-09-13 US claimed
US-20010020114-A1 Novel intermediates useful for the preparation of antihistaminic piperidine derivatives MERRELL PHARMACEUTICALS INC. 2001-09-06 US claimed
US-20010018521-A1 Novel intermediates useful for the preparation of antihistaminic piperidine derivatives MERRELL PHARMACEUTICALS INC. 2001-08-30 US claimed
US-20010000038-A1 Novel intermediates useful for the preparation of antihistaminic piperidine derivatives CHATTEM INC. 2001-03-15 US claimed
JP-H08512028-A 1996-12-17 JP claimed
EP-0705245-A1 NOVEL INTERMEDIATES FOR THE PREPARATION OF ANTIHISTAMINIC 4-DIPHENYLMETHYL/DIPHENYLMETHOXY PIPERIDINE DERIVATIVES MERRELL PHARMACEUTICALS INC. (US) 1996-04-10 EP claimed
WO-1995000480-A1 NOVEL INTERMEDIATES FOR THE PREPARATION OF ANTIHISTAMINIC 4-DIPHENYLMETHYL/DIPHENYLMETHOXY PIPERIDINE DERIVATIVES MERRELL PHARMACEUTICALS INC. (US) 1995-01-05 WO claimed
CN-119118807-A Method for synthesizing aryl butanone by ligand-regulated nickel-catalyzed aryl cyclopropyl ketone ring-opening hydrogenation 陕西师范大学 2024-12-13 CN disclosed
EP-3585775-B1 AZETIDINE COMPOUNDS AS GPR119 MODULATORS FOR THE TREATMENT OF DIABETES, OBESITY, DYSLIPIDEMIA AND RELATED DISORDERS SANOFI SA (FR) 2022-04-06 EP disclosed
US-20200148668-A1 DECARBOXYLATIVE CROSS-COUPLING AND APPLICATIONS THEREOF THE TRUSTEES OF PRINCETON UNIVERSITY 2020-05-14 US disclosed
WO-1995000480-A1 NOVEL INTERMEDIATES FOR THE PREPARATION OF ANTIHISTAMINIC 4-DIPHENYLMETHYL/DIPHENYLMETHOXY PIPERIDINE DERIVATIVES MERRELL PHARMACEUTICALS INC. (US) 1995-01-05 WO disclosed
US-4160829-A ANTIBIOTICS GIST-BROCADES N.V. (NL) 1979-07-10 US disclosed
US-4137324-A Optionally substituted phenyl-α-cyclopropyl acetic acid esters and use as insecticides NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) 1979-01-30 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (10 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20010000038-A1 Novel intermediates useful for the preparation of antihistaminic piperidine derivatives HRH1, HRH3, HRH4 KMT2A 1588/4885MEN1 2722/4885CYP2D6 553/4885
US-20020198407-A1 Novel intermediates useful for the preparation of antihistaminic piperidine derivatives HRH1, HRH3, HRH4 KMT2A 1895/4885MEN1 2020/4885CYP2D6 372/4885
US-20010020114-A1 Novel intermediates useful for the preparation of antihistaminic piperidine derivatives HRH1, HRH3, HRH4 KMT2A 2070/4885MEN1 2716/4885CYP2D6 494/4885
US-20030220496-A1 Novel intermediates useful for the preparation of antihistaminic piperidine derivatives HRH1, HRH3, HRH4 KMT2A 1588/4885MEN1 2722/4885CYP2D6 553/4885
US-20010021791-A1 Novel intermediates useful for the preparation of antihistaminic piperidine derivatives HRH1, HRH3, HRH4 KMT2A 2014/4885MEN1 2111/4885CYP2D6 388/4885
US-20010031895-A1 Novel intermediates useful for the preparation of antihistaminic piperidine derivatives HRH1, HRH4, HRH3 KMT2A 2187/4885MEN1 2358/4885CYP2D6 428/4885
US-20020077482-A1 Novel intermediates useful for the preparation of antihistaminic piperidine derivatives HRH1, HRH3, HRH4 KMT2A 1998/4885MEN1 2671/4885CYP2D6 468/4885
US-20010018521-A1 Novel intermediates useful for the preparation of antihistaminic piperidine derivatives HRH1, HRH3, HRH4 KMT2A 2055/4885MEN1 2708/4885CYP2D6 433/4885
US-20020007085-A1 Novel intermediates useful for the preparation of antihistaminic piperidine derivatives HRH1, HRH3, HRH4 KMT2A 2217/4885MEN1 2320/4885CYP2D6 416/4885
US-20200148668-A1 DECARBOXYLATIVE CROSS-COUPLING AND APPLICATIONS THEREOF PPOX, DDO, DDC KMT2A 1610/4885MEN1 2965/4885CYP2D6 647/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.