SCHEMBL1536488

SCHEMBL1536488

Clc1nccc2c(N3CCOCC3)cccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.47
PIK3CA P42336 1/20 0.47
PIK3CB P42338 1/20 0.47
ALDH1A1 P00352 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
NCF1 P14598 2/20 0.43
CTSB P07858 1/20 0.43
MAPT P10636 4/20 0.42
POLB P06746 2/20 0.42
METAP1 P53582 1/20 0.42
HTT P42858 1/20 0.42
STK4 Q13043 1/20 0.42
STK3 Q13188 1/20 0.42
LRRK2 Q5S007 1/20 0.42
CYP3A4 P08684 2/20 0.41
LMNA P02545 1/20 0.41
APEX1 P27695 1/20 0.41
MAPK1 P28482 1/20 0.41
PMP22 Q01453 1/20 0.41
ALDH3A1 P30838 1/20 0.40

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
SCHEMBL13729920 0.82 PIK3CA (0.47) PIK3CDPIK3CAPIK3CBALDH1A1NCF1
SCHEMBL15646463 0.81 NCF1 (0.49) PIK3CDPIK3CAPIK3CBALDH1A1SMN1; SMN2
SCHEMBL1801712 0.79 SMN1; SMN2 (0.58) PIK3CDPIK3CAPIK3CBALDH1A1SMN1; SMN2
SCHEMBL12463763 0.78 GSK3B (0.46) PIK3CDPIK3CAPIK3CBNCF1CTSB
SCHEMBL19829015 0.75 METAP1 (0.57) PIK3CDPIK3CAPIK3CBALDH1A1SMN1; SMN2
SCHEMBL24195955 0.73 PIK3CA (0.47) PIK3CDPIK3CAPIK3CBALDH1A1SMN1; SMN2
SCHEMBL20865970 0.73 PIK3CD (0.47) PIK3CDPIK3CAPIK3CBALDH1A1SMN1; SMN2
SCHEMBL30307430 0.73 NCF1 (0.67) PIK3CDPIK3CAPIK3CBALDH1A1SMN1; SMN2
SCHEMBL3836532 0.73 NCF1 (0.67) PIK3CDPIK3CAPIK3CBALDH1A1SMN1; SMN2
SCHEMBL28905859 0.73 GAA (0.51) PIK3CDPIK3CAPIK3CBSMN1; SMN2NCF1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9636375-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-05-02 US disclosed
US-9636375-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-05-02 US disclosed
US-9636375-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-05-02 US disclosed
US-9527885-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2016-12-27 US disclosed
US-9527885-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2016-12-27 US disclosed
US-9527885-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2016-12-27 US disclosed
EP-2909205-B1 9-METHYL SUBSTITUTED HEXADECAHYDROCYCLOPROPA(E)PYRROLO(1,2-A)(1,4)DIAZACYCLOPENTADECINYL CARBAMATE DERIVATIVES AS NON-STRUCTURAL 3 (NS3) PROTEASE INHIBITORS FOR THE TREATMENT OF HEPATITIS C VIRUS INFECTIONS BRISTOL MYERS SQUIBB CO (US) 2016-11-23 EP disclosed
EP-2909205-B1 9-METHYL SUBSTITUTED HEXADECAHYDROCYCLOPROPA(E)PYRROLO(1,2-A)(1,4)DIAZACYCLOPENTADECINYL CARBAMATE DERIVATIVES AS NON-STRUCTURAL 3 (NS3) PROTEASE INHIBITORS FOR THE TREATMENT OF HEPATITIS C VIRUS INFECTIONS BRISTOL MYERS SQUIBB CO (US) 2016-11-23 EP disclosed
US-9499550-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2016-11-22 US disclosed
US-9499550-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2016-11-22 US disclosed
EP-1505963-A4 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2008-12-24 EP disclosed
US-7449479-B2 Serine protease inhibition via 1-{[1-(2-Methoxycarbonylamino-3,3-dimethyl-butyryl)-4-(7-methoxy-2-phenyl-quinolin-4-yloxy)-pyrrolidine-2-carbonyl]-amino}-2-vinyl-cyclopropanecarboxylic acid BRISTOL-MYERS SQUIBB COMPANY (US) 2008-11-11 US disclosed
US-7449479-B2 Serine protease inhibition via 1-{[1-(2-Methoxycarbonylamino-3,3-dimethyl-butyryl)-4-(7-methoxy-2-phenyl-quinolin-4-yloxy)-pyrrolidine-2-carbonyl]-amino}-2-vinyl-cyclopropanecarboxylic acid BRISTOL-MYERS SQUIBB COMPANY (US) 2008-11-11 US disclosed
US-7449479-B2 Serine protease inhibition via 1-{[1-(2-Methoxycarbonylamino-3,3-dimethyl-butyryl)-4-(7-methoxy-2-phenyl-quinolin-4-yloxy)-pyrrolidine-2-carbonyl]-amino}-2-vinyl-cyclopropanecarboxylic acid BRISTOL-MYERS SQUIBB COMPANY (US) 2008-11-11 US disclosed
US-20060172950-A1 Serine protease inhibition via 1-{[1-(2-Methoxycarbonylamino-3,3-dimethyl-butyryl)-4-(7-methoxy-2-phenyl-quinolin-4-yloxy)-pyrrolidine-2-carbonyl]-amino}-2-vinyl-cyclopropanecarboxylic acid WANG XIANGDONG A 2006-08-03 US disclosed
US-6995174-B2 for inhibiting proteases BRISTOL-MYERS SQUIBB COMPANY (US) 2006-02-07 US disclosed
EP-1505963-A1 HEPATITIS C VIRUS INHIBITORS Bristol-Myers Squibb Company (US) 2005-02-16 EP disclosed
US-20040106559-A1 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY 2004-06-03 US disclosed
WO-2003099274-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2003-12-04 WO disclosed
WO-2003099274-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2003-12-04 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 (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-20040106559-A1 Hepatitis C virus inhibitors HAVCR2, HCCS, RNASE1 PIK3CD 3450/4885PIK3CA 2815/4885PIK3CB 1625/4885
US-20060172950-A1 Serine protease inhibition via 1-{[1-(2-Methoxycarbonylamino-3,3-dimethyl-butyryl)-4-(7-methoxy-2-phenyl-quinolin-4-yloxy)-pyrrolidine-2-carbonyl]-amino}-2-vinyl-cyclopropanecarboxylic acid PRSS1, CTRL, CTRB1 PIK3CD 4188/4885PIK3CA 3433/4885PIK3CB 2733/4885

“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.