SCHEMBL3316595

SCHEMBL3316595

CC(C)(C)C(=O)N1CCC(CO)CC1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.41
ALOX5 P09917 1/20 0.41
CXCR3 P49682 1/20 0.39
HTR2C P28335 1/20 0.39
AKR1C3 P42330 1/20 0.38
NR1H2 P55055 1/20 0.38
AOC2 O75106 1/20 0.38
CNR2 P34972 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
DRD2 P14416 1/20 0.36
DRD4 P21917 1/20 0.36
DRD3 P35462 1/20 0.36
GNAI3 P08754 1/20 0.36
GNAO1 P09471 1/20 0.36
GNAI1 P63096 1/20 0.36
DPP4 P27487 1/20 0.35
ALDH1A1 P00352 1/20 0.35

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
SCHEMBL18307629 0.89 NR1H2 (0.39) EPHX2ALOX5CXCR3HTR2CNR1H2
SCHEMBL3963077 0.89 NR1H2 (0.39) EPHX2ALOX5CXCR3HTR2CNR1H2
SCHEMBL15945549 0.84 THRA (0.42) CXCR3AKR1C3AOC2CNR2MEN1
SCHEMBL10215111 0.84 AOC2 (0.43) EPHX2CXCR3AOC2CNR2MEN1
SCHEMBL3316244 0.82 CXCR3 (0.38) CXCR3AOC2CNR2MEN1KMT2A
SCHEMBL18997472 0.82 GNAI3 (0.43) CXCR3AOC2CNR2MEN1KMT2A
SCHEMBL20439114 0.82 CHRM2 (0.49) CXCR3AOC2CNR2DRD2DRD4
SCHEMBL3119356 0.81 ALDH1A1 (0.39) CXCR3AOC2CNR2MEN1KMT2A
SCHEMBL25904071 0.81 CXCR3 (0.38) EPHX2CXCR3AOC2CNR2MEN1
SCHEMBL27035728 0.81 AOC2 (0.39) CXCR3AOC2CNR2MEN1KMT2A

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260035356-A1 MODULATORS OF TYK2 PROTEOLYSIS AND ASSOCIATED METHODS OF USE ARVINAS OPERATIONS INC (US) 2026-02-05 US disclosed
WO-2024020221-A1 MODULATORS OF TYK2 PROTEOLYSIS AND ASSOCIATED METHODS OF USE ARVINAS OPERATIONS, INC. (US) 2024-01-25 WO disclosed
WO-2024020221-A1 MODULATORS OF TYK2 PROTEOLYSIS AND ASSOCIATED METHODS OF USE ARVINAS OPERATIONS, INC. (US) 2024-01-25 WO disclosed
US-20200113913-A1 METHODS FOR HAIR FOLLICLE STEM CELL PROLIFERATION Frequency Therapeutics, Inc. 2020-04-16 US disclosed
US-9428504-B2 7-hydroxy-spiropipiperidine indolinyl antagonists of P2Y1 receptor BRISTOL-MYERS SQUIBB COMPANY (US) 2016-08-30 US disclosed
EP-2880034-B1 AMINO-HETEROARYL 7-HYDROXY-SPIROPIPERIDINE INDOLINYL ANTAGONISTS OF P2Y1 RECEPTOR BRISTOL MYERS SQUIBB CO (US) 2016-06-22 EP disclosed
EP-2892898-B1 7-HYDROXY-SPIROPIPIPERIDINE INDOLINYL ANTAGONISTS OF P2Y1 RECEPTOR BRISTOL MYERS SQUIBB CO (US) 2016-05-25 EP disclosed
US-9120798-B2 Amino-heteroaryl 7-hydroxy-spiropiperidine indolinyl antagonists of P2Y1 receptor BRISTOL-MYERS SQUIBB COMPANY (US) 2015-09-01 US disclosed
US-20150197521-A1 AMINO-HETEROARYL 7-HYDROXY-SPIROPIPERIDINE INDOLINYL ANTAGONISTS OF P2Y1 RECEPTOR BRISTOL-MYERS SQUIBB COMPANY 2015-07-16 US disclosed
US-20150166538-A1 7-HYDROXY-SPIROPIPIPERIDINE INDOLINYL ANTAGONISTS OF P2Y1 RECEPTOR BRISTOL-MYERS SQUIBB COMPANY 2015-06-18 US disclosed
US-20100105727-A1 NOVEL BENZAMIDE DERIVATIVES AND PROCESS FOR THE PREPARTION THEREOF DONG-A-PHARM. CO., LTD. (KR) 2010-04-29 US disclosed
EP-2137152-A1 NOVEL BENZAMIDE DERIVATIVES AND PROCESS FOR THE PREPARATION THEREOF Dong-A Pharm.Co., Ltd. (KR) 2009-12-30 EP disclosed
US-20090054440-A1 Quinoline derivatives as neurokinin receptor antagonists CARLING WILLIAM ROBERT 2009-02-26 US disclosed
WO-2008114971-A1 NOVEL BENZAMIDE DERIVATIVES AND PROCESS FOR THE PREPARATION THEREOF DONG-A PHARM. CO., LTD. (KR) 2008-09-25 WO disclosed
EP-1888530-A2 QUINOLINE DERIVATIVES AS NEUROKININ RECEPTOR ANTAGONISTS MERCK SHARP & DOHME LTD. (GB) 2008-02-20 EP disclosed
WO-2006120478-A2 QUINOLINE DERIVATIVES AS NEUROKININ RECEPTOR ANTAGONISTS MERCK SHARP & DOHME LIMITED (GB) 2006-11-16 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 (6 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-20200113913-A1 METHODS FOR HAIR FOLLICLE STEM CELL PROLIFERATION SHH, WNT3A, WNT1 EPHX2 1940/4885ALOX5 3095/4885CXCR3 2664/4885
US-20100105727-A1 NOVEL BENZAMIDE DERIVATIVES AND PROCESS FOR THE PREPARTION THEREOF HTR4, HTR1A, TPH1 EPHX2 3996/4885ALOX5 1005/4885CXCR3 4740/4885
US-20090054440-A1 Quinoline derivatives as neurokinin receptor antagonists TACR2, TACR3, NPY2R EPHX2 2446/4885ALOX5 2312/4885CXCR3 220/4885
US-20260035356-A1 MODULATORS OF TYK2 PROTEOLYSIS AND ASSOCIATED METHODS OF USE TYK2, CRBN, CSNK2A3 EPHX2 3410/4885ALOX5 4819/4885CXCR3 2516/4885
US-20150197521-A1 AMINO-HETEROARYL 7-HYDROXY-SPIROPIPERIDINE INDOLINYL ANTAGONISTS OF P2Y1 RECEPTOR P2RY1, P2RY2, P2RY11 EPHX2 1873/4885ALOX5 905/4885CXCR3 779/4885
US-20150166538-A1 7-HYDROXY-SPIROPIPIPERIDINE INDOLINYL ANTAGONISTS OF P2Y1 RECEPTOR P2RY1, P2RY2, P2RY11 EPHX2 1688/4885ALOX5 914/4885CXCR3 686/4885

“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.