SCHEMBL3671792

SCHEMBL3671792

CCCOC(=O)CCc1ccccc1C(=O)CCCCl

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 2/20 0.45
CYP4A11 Q02928 2/20 0.45
ALDH1A1 P00352 3/20 0.44
L3MBTL1 Q9Y468 3/20 0.43
CDYL Q9Y232 1/20 0.42
TDP1 Q9NUW8 3/20 0.41
KDM4E B2RXH2 1/20 0.40
TSHR P16473 2/20 0.39
LMNA P02545 1/20 0.39
TOP2A P11388 1/20 0.39
TP53 P04637 1/20 0.38
CYP3A4 P08684 1/20 0.38
MAPK1 P28482 1/20 0.38
P2RY10 O00398 3/20 0.38
GPR34 Q9UPC5 1/20 0.38

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
SCHEMBL11706328 0.79 HTT (0.40) ALDH1A1L3MBTL1TDP1TSHRLMNA
SCHEMBL4489861 0.77 SLC16A3 (0.40) ALDH1A1L3MBTL1TDP1LMNA
SCHEMBL27962512 0.77 HTT (0.45) ALDH1A1TSHRLMNA
SCHEMBL28009675 0.76 TSHR (0.67) CYP4F2CYP4A11ALDH1A1L3MBTL1TDP1
SCHEMBL14360800 0.75 CYP4F2 (0.58) CYP4F2CYP4A11ALDH1A1CDYLTDP1
SCHEMBL25063322 0.74 ALDH1A1 (0.61) CYP4F2CYP4A11ALDH1A1L3MBTL1CDYL
SCHEMBL5201213 0.74 CYP4F2 (0.53) CYP4F2CYP4A11ALDH1A1CDYLTDP1
SCHEMBL1363658 0.73 DGKA (0.57) ALDH1A1L3MBTL1TSHRTOP2AMAPK1
SCHEMBL2783932 0.73 GABRA1 (0.47) ALDH1A1L3MBTL1TDP1KDM4ETSHR
SCHEMBL28008682 0.72 CYP4F2 (0.57) CYP4F2CYP4A11ALDH1A1L3MBTL1TDP1

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 25 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-6348597-B2 INTERMEDIATE P-CYCLOPROPANOYL CUMENE COMPOUNDS AND DERIVATIVES, OPTIONALLY HAVING A 3-HYDROXY GROUP; 1-(BENZOYLALKYL)-4-(DIPHENYLMETHOXY)-PIPERIDINE COMPOUNDS AND 1-(A-HYDROXYBENZYLALKYL)-4-(DIPHENYLALKENYL)-PIPERIDINES MERRELL PHARMACEUTICALS, INC. 2002-02-19 US disclosed
US-6340761-B1 AMINATION AND DEHYDROHALOGENATION WITH PIPERIDINE COMPOUNDS MERRELL PHARMACEUTICALS INC. 2002-01-22 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

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 CYP4F2 1780/4885CYP4A11 638/4885ALDH1A1 402/4885
US-20010020114-A1 Novel intermediates useful for the preparation of antihistaminic piperidine derivatives HRH1, HRH3, HRH4 CYP4F2 1757/4885CYP4A11 603/4885ALDH1A1 385/4885
US-20030220496-A1 Novel intermediates useful for the preparation of antihistaminic piperidine derivatives HRH1, HRH3, HRH4 CYP4F2 1780/4885CYP4A11 638/4885ALDH1A1 402/4885
US-20010021791-A1 Novel intermediates useful for the preparation of antihistaminic piperidine derivatives HRH1, HRH3, HRH4 CYP4F2 1393/4885CYP4A11 385/4885ALDH1A1 365/4885
US-20010031895-A1 Novel intermediates useful for the preparation of antihistaminic piperidine derivatives HRH1, HRH4, HRH3 CYP4F2 1383/4885CYP4A11 427/4885ALDH1A1 356/4885
US-20010018521-A1 Novel intermediates useful for the preparation of antihistaminic piperidine derivatives HRH1, HRH3, HRH4 CYP4F2 1726/4885CYP4A11 492/4885ALDH1A1 292/4885
US-20020007085-A1 Novel intermediates useful for the preparation of antihistaminic piperidine derivatives HRH1, HRH3, HRH4 CYP4F2 1425/4885CYP4A11 415/4885ALDH1A1 329/4885

“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.