SCHEMBL1508536

SCHEMBL1508536

Cc1cccc2c1CC[C@@H]2O

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 3/20 0.51
KCNH2 Q12809 1/20 0.51
ADRA2A P08913 1/20 0.47
ADRA2B P18089 1/20 0.47
ADRA2C P18825 1/20 0.47
ADRA1D P25100 1/20 0.47
ADRA1A P35348 1/20 0.47
ADRA1B P35368 1/20 0.47
OPRM1 P35372 2/20 0.47
UGT2B17 O75795 2/20 0.46
POLL Q9UGP5 1/20 0.42
MAP3K14 Q99558 1/20 0.41
IDO1 P14902 1/20 0.39
HTR2C P28335 4/20 0.38
FFAR1 O14842 1/20 0.37
TRPV1 Q8NER1 1/20 0.37
KMT2A Q03164 1/20 0.37
HTR2B P41595 1/20 0.36
S1PR1 P21453 1/20 0.36

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
SCHEMBL1151022 1.00 OPRL1 (0.51) OPRL1KCNH2ADRA2AADRA2BADRA2C
SCHEMBL30997127 1.00 OPRL1 (0.51) OPRL1KCNH2ADRA2AADRA2BADRA2C
SCHEMBL1746541 1.00 OPRL1 (0.51) OPRL1KCNH2ADRA2AADRA2BADRA2C
SCHEMBL12014020 0.90 UGT2B17 (0.58) OPRL1KCNH2ADRA2AADRA2BADRA2C
SCHEMBL5752195 0.89 UGT2B17 (0.51) OPRL1KCNH2ADRA2AADRA2BADRA2C
SCHEMBL15494638 0.84 POLL (0.41) OPRL1KCNH2ADRA2AADRA2BADRA2C
SCHEMBL3630215 0.84 POLL (0.41) OPRL1KCNH2ADRA2AADRA2BADRA2C
SCHEMBL9277764 0.84 POLL (0.41) OPRL1KCNH2ADRA2AADRA2BADRA2C
SCHEMBL30038859 0.83 UGT2B17 (0.42) OPRL1KCNH2ADRA2AADRA2BADRA2C
SCHEMBL13517902 0.80 POLL (0.44) OPRL1KCNH2OPRM1POLLKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2646425-B1 Indanyloxydihydrobenzofuranylacetic acids useful for the treatment of metabolic syndrome BOEHRINGER INGELHEIM INT (DE) 2015-06-10 EP disclosed
US-9051289-B2 Process and intermediates for preparing GPR40 agonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-06-09 US disclosed
US-20150087829-A1 PROCESS AND INTERMEDIATES FOR PREPARING GPR40 AGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-03-26 US disclosed
EP-2289868-B1 CARBOXYLIC ACID COMPOUND DAIICHI SANKYO CO LTD (JP) 2014-08-13 EP disclosed
US-8222281-B2 Carboxylic acid compound DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-07-17 US disclosed
US-20110178143-A1 THERAPEUTIC COMPOUNDS ALLERGAN, INC. (US) 2011-07-21 US disclosed
US-20110178143-A1 THERAPEUTIC COMPOUNDS ALLERGAN, INC. (US) 2011-07-21 US disclosed
CN-102076650-A Carboxylic acid compound DAIICHI SANKYO CO LTD 2011-05-25 CN disclosed
US-20110053974-A1 CARBOXYLIC ACID COMPOUND DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-03-03 US disclosed
EP-2289868-A1 CARBOXYLIC ACID COMPOUND Daiichi Sankyo Company, Limited (JP) 2011-03-02 EP disclosed
WO-2009023757-A1 THERAPEUTIC COMPOUNDS ALLERGAN, INC. (US) 2009-02-19 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 (3 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-20110178143-A1 THERAPEUTIC COMPOUNDS GOT2, GOT1, ANXA5 OPRL1 984/4885KCNH2 3670/4885ADRA2A 1550/4885
US-20110053974-A1 CARBOXYLIC ACID COMPOUND AKR1C3, SLC5A1, GPR119 OPRL1 1711/4885KCNH2 332/4885ADRA2A 965/4885
US-20150087829-A1 PROCESS AND INTERMEDIATES FOR PREPARING GPR40 AGONISTS GPR4, GPR3, GPR55 OPRL1 234/4885KCNH2 1340/4885ADRA2A 69/4885

“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.