SCHEMBL305263

SCHEMBL305263

CC(c1ccccc1)C(C(=O)O)(c1ccccc1)N1CCC(C)(O)CC1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 13/20 0.39
OPRK1 P41145 13/20 0.39
OPRL1 P41146 13/20 0.39
OPRD1 P41143 12/20 0.39
CYP2D6 P10635 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 2/20 0.35
CYP2C19 P33261 1/20 0.35
MAPK1 P28482 1/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP3A4 P08684 1/20 0.34

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
SCHEMBL305262 1.00 OPRM1 (0.39) OPRM1OPRK1OPRL1OPRD1CYP2D6
SCHEMBL580033 1.00 OPRM1 (0.39) OPRM1OPRK1OPRL1OPRD1CYP2D6
SCHEMBL304094 0.88 OPRL1 (0.53) OPRM1OPRK1OPRL1OPRD1
SCHEMBL304095 0.88 OPRL1 (0.53) OPRM1OPRK1OPRL1OPRD1
SCHEMBL571259 0.68 OPRM1 (0.38) OPRM1OPRK1OPRL1OPRD1CYP2D6
SCHEMBL1316739 0.68 GAA (0.38) OPRK1CYP1A2CYP2C9CYP2C19MAPK1
SCHEMBL1316741 0.68 GAA (0.38) OPRK1CYP1A2CYP2C9CYP2C19MAPK1
SCHEMBL571260 0.68 OPRM1 (0.38) OPRM1OPRK1OPRL1OPRD1CYP2D6
SCHEMBL303920 0.67 LMNA (0.63) OPRM1OPRK1OPRL1OPRD1CYP2D6
SCHEMBL2707046 0.67 LMNA (0.63) OPRM1OPRK1OPRL1OPRD1CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9018390-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2015-04-28 US disclosed
US-9006455-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2015-04-14 US disclosed
US-8822444-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2014-09-02 US disclosed
US-8809548-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2014-08-19 US disclosed
US-8735398-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2014-05-27 US disclosed
US-20130317213-A1 Hepatitis C Virus Inhibitors BRISTOL MYERS SQUIBB CO (US) 2013-11-28 US disclosed
US-20130280211-A1 Hepatitis C Virus Inhibitors BRISTOL MYERS SQUIBB CO (US) 2013-10-24 US disclosed
US-20130085147-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-04-04 US disclosed
US-8377980-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-02-19 US disclosed
US-20120277266-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2012-11-01 US disclosed
US-20110195044-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2011-08-11 US disclosed
WO-2011075439-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2011-06-23 WO disclosed
US-20110130433-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2011-06-02 US disclosed
WO-2011059887-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2011-05-19 WO disclosed
WO-2011059850-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2011-05-19 WO disclosed
US-20110098327-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2011-04-28 US disclosed
US-20110077280-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2011-03-31 US disclosed
US-20100215616-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2010-08-26 US disclosed
US-7741347-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2010-06-22 US disclosed
US-20080311075-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2008-12-18 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 (10 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-20100215616-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS OPRM1 2169/4885OPRK1 1789/4885OPRL1 4100/4885
US-20130085147-A1 Hepatitis C Virus Inhibitors HAVCR2, MAVS, GTF3C1 OPRM1 3204/4885OPRK1 3631/4885OPRL1 4510/4885
US-20110195044-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS OPRM1 2169/4885OPRK1 1789/4885OPRL1 4100/4885
US-20130317213-A1 Hepatitis C Virus Inhibitors HAVCR2, HCCS, MAVS OPRM1 2615/4885OPRK1 2572/4885OPRL1 4332/4885
US-20110077280-A1 Hepatitis C Virus Inhibitors HAVCR2, EIF2AK2, MAVS OPRM1 2703/4885OPRK1 2874/4885OPRL1 4222/4885
US-20110130433-A1 Hepatitis C Virus Inhibitors HAVCR2, EIF2AK2, MAVS OPRM1 2703/4885OPRK1 2874/4885OPRL1 4222/4885
US-20120277266-A1 Hepatitis C Virus Inhibitors HAVCR2, EIF2AK2, MAVS OPRM1 2703/4885OPRK1 2874/4885OPRL1 4222/4885
US-20130280211-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS OPRM1 2169/4885OPRK1 1789/4885OPRL1 4100/4885
US-20110098327-A1 Hepatitis C Virus Inhibitors HAVCR2, EIF2AK2, MAVS OPRM1 2812/4885OPRK1 2801/4885OPRL1 4248/4885
US-20080311075-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS OPRM1 2169/4885OPRK1 1789/4885OPRL1 4100/4885

“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.