SCHEMBL1850656

SCHEMBL1850656

CC(C)(C)OC(=O)N1C2CCCCC2C[C@H]1C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.45
CHRM1 P11229 1/20 0.45
CHRM3 P20309 1/20 0.45
ACE P12821 7/20 0.44
PREP P48147 4/20 0.42
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
USP2 O75604 1/20 0.40
LMNA P02545 1/20 0.40
HSD17B10 Q99714 1/20 0.39
CYP3A4 P08684 1/20 0.38
ALOX15 P16050 1/20 0.38
GPR119 Q8TDV5 1/20 0.37
EPHX1 P07099 1/20 0.37

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
SCHEMBL14053968 1.00 CHRM2 (0.45) CHRM2CHRM1CHRM3ACEPREP
SCHEMBL27272428 1.00 CHRM2 (0.45) CHRM2CHRM1CHRM3ACEPREP
SCHEMBL17031906 1.00 CHRM2 (0.45) CHRM2CHRM1CHRM3ACEPREP
SCHEMBL1336739 1.00 CHRM2 (0.45) CHRM2CHRM1CHRM3ACEPREP
SCHEMBL3050914 1.00 CHRM2 (0.45) CHRM2CHRM1CHRM3ACEPREP
SCHEMBL8337646 1.00 CHRM2 (0.45) CHRM2CHRM1CHRM3ACEPREP
SCHEMBL4840543 1.00 CHRM2 (0.45) CHRM2CHRM1CHRM3ACEPREP
SCHEMBL4847115 1.00 CHRM2 (0.45) CHRM2CHRM1CHRM3ACEPREP
SCHEMBL14865498 0.99 CHRM2 (0.44) CHRM2CHRM1CHRM3ACEPREP
Cesium SCHEMBL8725844 0.99 CHRM2 (0.44) CHRM2CHRM1CHRM3ACEPREP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170320833-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-11-09 US disclosed
US-9758487-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-09-12 US disclosed
US-20160311778-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2016-10-27 US disclosed
US-9421192-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2016-08-23 US disclosed
US-20160067223-A1 Hepatitis C Virus Inhibitors BRISTOL MYERS SQUIBB CO (US) 2016-03-10 US disclosed
US-9227961-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2016-01-05 US disclosed
CN-104447707-A Hepatitis c virus inhibitors BRISTOL MYERS SQUIBB CO 2015-03-25 CN disclosed
US-20150011754-A1 Hepatitis C Virus Inhibitors BRISTOL MYERS SQUIBB CO (US) 2015-01-08 US disclosed
CN-101558059-B Hepatitis c virus inhibitors BRISTOL MYERS SQUIBB CO 2014-12-03 CN disclosed
US-8900566-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2014-12-02 US disclosed
US-20060178383-A1 Novel 2-amino-quinazoline derivatives useful as inhibitors of beta-secretase (BACE) JANSSEN PHARMACEUTICA, N.V. (BE) 2006-08-10 US disclosed
US-20060079686-A1 Novel 2-amino-quinazoline derivatives useful as inhibitors of beta-secretase (BACE) JANSSEN PHARMACEUTICA NV (BE) 2006-04-13 US disclosed
US-20060079687-A1 Novel 2-amino-quinazoline derivatives useful as inhibitors of beta-secretase (BACE) JANSSEN PHARMACEUTICA, N.V. (BE) 2006-04-13 US disclosed
WO-2006024932-A1 2-AMINO-QUINAZOLINE DERIVATIVES USEFUL AS INHIBITORS OF B-SECRETASE (BACE) JANSSEN PHARMACEUTICA, N.V. (US) 2006-03-09 WO disclosed
WO-2006017844-A1 NOVEL 2-AMINO-QUINAZOLINE DERIVATIVES USEFUL AS INHIBITORS OF β-SECRETASE (BACE) JANSSEN PHARMACEUTICA, N.V. (BE) 2006-02-16 WO disclosed
WO-2006017836-A2 2-AMINO-QUINAZOLINE DERIVATIVES USEFUL AS INHIBITORS OF BETA-SECRETASE (BACE) JANSSEN PHARMACEUTICA, N.V. (BE) 2006-02-16 WO disclosed
WO-2005028502-A1 INHIBITORS OF SERINE PROTEASES, PARTICULARLY HCV NS3-NS4A PROTEASE VERTEX PHARMACEUTICALS, INCORPORATED (US) 2005-03-31 WO disclosed
US-20040229858-A1 VLA-4 inhibitor compounds DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-11-18 US disclosed
US-6756378-B2 BENZYL -UREA, -THIOUREA, OR -GUANIDINE DERIVATIVES THAT INHIBIT THE BINDING OF LIGANDS TO ALPHA 4 BETA 1 INTEGRIN (VLA-4) PHARMACOPEIA DRUG DISCOVERY, INC. 2004-06-29 US disclosed
US-20030078249-A1 VLA-4 inhibitor compounds DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2003-04-24 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 (9 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-20030078249-A1 VLA-4 inhibitor compounds VCAM1, ICAM1, ITGA4 CHRM2 2236/4885CHRM1 1416/4885CHRM3 2033/4885
US-20160067223-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS CHRM2 4697/4885CHRM1 4713/4885CHRM3 3883/4885
US-20060178383-A1 Novel 2-amino-quinazoline derivatives useful as inhibitors of beta-secretase (BACE) BACE2, BACE1, APP CHRM2 3172/4885CHRM1 3311/4885CHRM3 3019/4885
US-20040229858-A1 VLA-4 inhibitor compounds VCAM1, ICAM1, ITGB4 CHRM2 2195/4885CHRM1 1403/4885CHRM3 2018/4885
US-20060079687-A1 Novel 2-amino-quinazoline derivatives useful as inhibitors of beta-secretase (BACE) BACE2, BACE1, APP CHRM2 3172/4885CHRM1 3311/4885CHRM3 3019/4885
US-20170320833-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, PYGL, HCCS CHRM2 4697/4885CHRM1 4713/4885CHRM3 3883/4885
US-20060079686-A1 Novel 2-amino-quinazoline derivatives useful as inhibitors of beta-secretase (BACE) BACE2, BACE1, APP CHRM2 3172/4885CHRM1 3311/4885CHRM3 3019/4885
US-20150011754-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS CHRM2 4697/4885CHRM1 4713/4885CHRM3 3883/4885
US-20160311778-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS CHRM2 4697/4885CHRM1 4713/4885CHRM3 3883/4885

“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.