SCHEMBL3671788

SCHEMBL3671788

CCCOC(=O)C(C)c1ccc(C(=O)CCCCl)cc1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.51
NPC1 O15118 1/20 0.43
HSD17B3 P37058 7/20 0.42
HTR7 P34969 1/20 0.41
USP5 P45974 1/20 0.40
MMP1 P03956 1/20 0.40
HRH2 P25021 3/20 0.40
HRH1 P35367 3/20 0.40
THRA P10827 1/20 0.39
THRB P10828 1/20 0.39

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
SCHEMBL27500904 0.89 NPC1 (0.49) L3MBTL1NPC1HSD17B3HTR7USP5
SCHEMBL3671743 0.80 USP5 (0.50) L3MBTL1NPC1USP5
SCHEMBL3668961 0.79 EPHX1 (0.49) L3MBTL1NPC1HSD17B3HTR7USP5
SCHEMBL11428105 0.78 HSD17B3 (0.56) NPC1HSD17B3HTR7HRH2HRH1
SCHEMBL2923903 0.78 USP5 (0.64) L3MBTL1NPC1HSD17B3HTR7USP5
SCHEMBL29023170 0.76 NPC1 (0.47) L3MBTL1NPC1HSD17B3HTR7USP5
SCHEMBL4489859 0.76 HSD17B3 (0.47) L3MBTL1NPC1HSD17B3HTR7USP5
SCHEMBL8072880 0.75 USP5 (0.47) L3MBTL1NPC1HSD17B3HTR7USP5
SCHEMBL11705672 0.75 L3MBTL1 (0.76) L3MBTL1NPC1MMP1HRH2HRH1
SCHEMBL3682043 0.75 USP5 (0.47) L3MBTL1NPC1HSD17B3HTR7USP5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2261207-A1 Intermediates for the preparation of antihistaminic 4-diphenylmethyl/diphenylmethoxy piperidine derivatives Aventisub II Inc. (US) 2010-12-15 EP disclosed
EP-2261208-A1 Intermediates for the preparation of antihistaminic 4-diphenylmethyl/diphenylmethoxy piperidine derivatives Aventisub II Inc. (US) 2010-12-15 EP disclosed
EP-1953142-A1 Process for the preparation of antihistaminic 4-diphenylmethyl piperidine derivatives Aventis Inc. (US) 2008-08-06 EP disclosed
US-6777555-B2 3-(OPTIONALLY HYDROXYL)-4-(CYCLOPROPYLCARBONYL)-CUMENE INTERMEDIATE MERRELL PHARMACEUTICALS, INC. 2004-08-17 US disclosed
US-20030220496-A1 Novel intermediates useful for the preparation of antihistaminic piperidine derivatives MERRELL PHARMACEUTICALS, INC. 2003-11-27 US disclosed
US-6566526-B2 Intermediates useful for the preparation of antihistaminic piperidine derivatives MERRELL PHARMACEUTICALS INC. 2003-05-20 US disclosed
US-6559312-B2 Cyclopropyl phenyl ketone compound MERRELL PHARMACEUTICALS INC. 2003-05-06 US disclosed
US-6555689-B2 Antiallergy agents and bronchodilators MERRELL PHARMACEUTICALS INC. 2003-04-29 US disclosed
US-6552200-B2 Antiallergens MERRELL PHARMACEUTICALS INC. 2003-04-22 US disclosed
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 disclosed
US-20020007085-A1 Novel intermediates useful for the preparation of antihistaminic piperidine derivatives MERRELL PHARMACEUTICALS INC. 2002-01-17 US disclosed
US-20010031895-A1 Novel intermediates useful for the preparation of antihistaminic piperidine derivatives MERRELL DOW PHARMACEUTICALS INC. 2001-10-18 US disclosed
US-20010021791-A1 Novel intermediates useful for the preparation of antihistaminic piperidine derivatives MERRELL PHARMACEUTICALS INC. 2001-09-13 US disclosed
US-20010020114-A1 Novel intermediates useful for the preparation of antihistaminic piperidine derivatives MERRELL PHARMACEUTICALS INC. 2001-09-06 US disclosed
US-20010018521-A1 Novel intermediates useful for the preparation of antihistaminic piperidine derivatives MERRELL PHARMACEUTICALS INC. 2001-08-30 US disclosed
US-6242606-B1 REACTING A A,A-DIMETHYLPHENYLACETIC ACID AMIDE WITH A W-HALO COMPOUND PRODUCES W'-HALO-A-KETO-A,A-DIMETHYLPHENYLACETIC ACID AMIDE AND REACTING IT WITH A PIPERIDINE COMPOUND; 2-(4-(4-CHLORO-BUTYRYL)-PHENYL)-2-METHY-PROPIONIC ACID MERRELL PHARMACEUTICALS INC. 2001-06-05 US disclosed
US-20010000038-A1 Novel intermediates useful for the preparation of antihistaminic piperidine derivatives CHATTEM INC. 2001-03-15 US disclosed
US-6147216-A Intermediates useful for the preparation of antihistaminic piperidine derivatives MERRELL PHARMACEUTICALS INC. (US) 2000-11-14 US disclosed
EP-0705245-A1 NOVEL INTERMEDIATES FOR THE PREPARATION OF ANTIHISTAMINIC 4-DIPHENYLMETHYL/DIPHENYLMETHOXY PIPERIDINE DERIVATIVES MERRELL PHARMACEUTICALS INC. (US) 1996-04-10 EP 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

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

For each of this compound's patents that has machine-readable text (7 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 L3MBTL1 3937/4885NPC1 2412/4885HSD17B3 832/4885
US-20010020114-A1 Novel intermediates useful for the preparation of antihistaminic piperidine derivatives HRH1, HRH3, HRH4 L3MBTL1 3787/4885NPC1 2390/4885HSD17B3 1092/4885
US-20030220496-A1 Novel intermediates useful for the preparation of antihistaminic piperidine derivatives HRH1, HRH3, HRH4 L3MBTL1 3937/4885NPC1 2412/4885HSD17B3 832/4885
US-20010021791-A1 Novel intermediates useful for the preparation of antihistaminic piperidine derivatives HRH1, HRH3, HRH4 L3MBTL1 3990/4885NPC1 1689/4885HSD17B3 549/4885
US-20010031895-A1 Novel intermediates useful for the preparation of antihistaminic piperidine derivatives HRH1, HRH4, HRH3 L3MBTL1 4069/4885NPC1 1692/4885HSD17B3 568/4885
US-20010018521-A1 Novel intermediates useful for the preparation of antihistaminic piperidine derivatives HRH1, HRH3, HRH4 L3MBTL1 4195/4885NPC1 2104/4885HSD17B3 685/4885
US-20020007085-A1 Novel intermediates useful for the preparation of antihistaminic piperidine derivatives HRH1, HRH3, HRH4 L3MBTL1 4140/4885NPC1 1740/4885HSD17B3 534/4885

“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.