SCHEMBL3689140

SCHEMBL3689140

CCc1ccc(C(=O)CCCCl)cc1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.52
NPC1 O15118 3/20 0.51
HSD17B3 P37058 7/20 0.50
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
ATM Q13315 1/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
HTR7 P34969 1/20 0.49
THRA P10827 1/20 0.47
THRB P10828 1/20 0.47
PLK1 P53350 1/20 0.47
RAB9A P51151 3/20 0.47
HPGD P15428 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
MAPT P10636 1/20 0.47

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
SCHEMBL11705123 0.95 HSD17B3 (0.51) ALDH1A1NPC1HSD17B3MEN1KMT2A
SCHEMBL5866548 0.89 ALDH1A1 (0.55) ALDH1A1NPC1HSD17B3MEN1KMT2A
SCHEMBL27707793 0.86 L3MBTL1 (0.65) ALDH1A1NPC1HSD17B3L3MBTL1HTR7
SCHEMBL8123386 0.85 HSD17B3 (0.69) ALDH1A1HSD17B3MEN1KMT2AATM
SCHEMBL30089549 0.84 ALDH1A1 (0.64) ALDH1A1NPC1HSD17B3MEN1KMT2A
SCHEMBL26454473 0.83 ALDH1A1 (0.53) ALDH1A1NPC1HSD17B3MEN1KMT2A
SCHEMBL6656228 0.83 HSD17B3 (0.70) HSD17B3HTR7THRATHRB
SCHEMBL14397985 0.83 NPC1 (0.48) ALDH1A1NPC1HSD17B3L3MBTL1HTR7
SCHEMBL10790112 0.81 NPC1 (0.52) ALDH1A1NPC1HSD17B3MEN1KMT2A
SCHEMBL4489863 0.81 THRA (0.56) NPC1L3MBTL1THRATHRBRAB9A

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 37 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-6942966-B1 libraries formed by permutations; combinatorial chemistry; drug screening ISIS PHARMACEUTICALS, INC. (US) 2005-09-13 US 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-6559303-B1 Bridgehead atoms are bonded to one or more bridges that interconnect one or more ring systems thereby forming a large cyclic structure. Located in each bridge are two or more nitrogenous moieties that are derivatized with chemical ISIS PHARMACEUTICALS, INC. 2003-05-06 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-20010000038-A1 Novel intermediates useful for the preparation of antihistaminic piperidine derivatives CHATTEM INC. 2001-03-15 US disclosed
US-6197965-B1 POLYARYLALKYLAMINO-SUBSTITUED PYRIDINE DERIVATIVES; DRUGS, MEDICINE, DIAGNOSTICS ISIS PHARMACEUTICALS, INC. 2001-03-06 US disclosed
US-6147216-A Intermediates useful for the preparation of antihistaminic piperidine derivatives MERRELL PHARMACEUTICALS INC. (US) 2000-11-14 US disclosed
EP-0817787-A4 NITROGENOUS MACROCYCLIC COMPOUNDS ISIS PHARMACEUTICALS INC (US) 2000-09-13 EP disclosed
EP-0817787-A1 NITROGENOUS MACROCYCLIC COMPOUNDS ISIS PHARMACEUTICALS, INC. (US) 1998-01-14 EP disclosed
WO-1996030377-A1 NITROGENOUS MACROCYCLIC COMPOUNDS ISIS PHARMACEUTICALS, INC. (US) 1996-10-03 WO disclosed
EP-0035228-B1 TETRAZOLE DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF, AND ANTI-ULCER COMPOSITION CONTAINING THE SAME OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1985-01-02 EP disclosed
US-4372953-A Tetrazole derivatives, and anti-ulcer composition containing the same OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1983-02-08 US disclosed
EP-0035228-A1 Tetrazole derivatives, process for the preparation thereof, and anti-ulcer composition containing the same OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1981-09-09 EP disclosed
US-3965257-A DIPHENYL-4-PIPERIDYL-METHANES RICHARDSON-MERRELL INC. (US) 1976-06-22 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 (2 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 ALDH1A1 402/4885NPC1 2412/4885HSD17B3 832/4885
US-20030220496-A1 Novel intermediates useful for the preparation of antihistaminic piperidine derivatives HRH1, HRH3, HRH4 ALDH1A1 402/4885NPC1 2412/4885HSD17B3 832/4885

“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.