SCHEMBL1508799

SCHEMBL1508799

O[C@H]1CCc2c(C3CC3)cccc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 3/20 0.43
KCNH2 Q12809 1/20 0.43
NOTUM Q6P988 1/20 0.42
POLL Q9UGP5 1/20 0.40
HTR1A P08908 1/20 0.39
HTR7 P34969 1/20 0.39
OPRM1 P35372 2/20 0.36
TRPV1 Q8NER1 1/20 0.36
NR3C2 P08235 1/20 0.36
FFAR1 O14842 1/20 0.35
HTR2C P28335 1/20 0.35
HTR2B P41595 1/20 0.35
KMT2A Q03164 1/20 0.35
CYP11B1 P15538 2/20 0.34
CYP11B2 P19099 2/20 0.34
S1PR1 P21453 3/20 0.34
S1PR2 O95136 1/20 0.34
S1PR4 O95977 1/20 0.34
S1PR3 Q99500 1/20 0.34
S1PR5 Q9H228 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
SCHEMBL20540210 0.81 S1PR1 (0.42) POLLNR3C2CYP11B1CYP11B2S1PR1
SCHEMBL23948898 0.81 S1PR1 (0.42) POLLNR3C2CYP11B1CYP11B2S1PR1
SCHEMBL9534010 0.79 ESR1 (0.51) HTR1A
SCHEMBL13518633 0.79 ESR1 (0.51) HTR1A
SCHEMBL1746541 0.78 OPRL1 (0.51) OPRL1KCNH2POLLOPRM1TRPV1
SCHEMBL4641247 0.78 GID4 (0.45) KCNH2POLLOPRM1NR3C2KMT2A
SCHEMBL11110438 0.78 HTR2C (0.45) OPRL1NOTUMPOLLOPRM1NR3C2
SCHEMBL9455904 0.78 POLL (0.39) OPRL1KCNH2POLLNR3C2KMT2A
SCHEMBL1508536 0.78 OPRL1 (0.51) OPRL1KCNH2POLLOPRM1TRPV1
SCHEMBL1508379 0.78 HTR2C (0.45) OPRL1NOTUMPOLLOPRM1NR3C2

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 12 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
EP-2289868-B1 CARBOXYLIC ACID COMPOUND DAIICHI SANKYO CO LTD (JP) 2014-08-13 EP disclosed
EP-2646425-A1 INDANYLOXYDIHYDROBENZOFURANYLACETIC ACIDS Boehringer Ingelheim International GmbH (DE) 2013-10-09 EP disclosed
US-20120302566-A1 INDANYLOXYDIHYDROBENZOFURANYLACETIC ACIDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-11-29 US disclosed
US-20120302566-A1 INDANYLOXYDIHYDROBENZOFURANYLACETIC ACIDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-11-29 US disclosed
US-20120302566-A1 INDANYLOXYDIHYDROBENZOFURANYLACETIC ACIDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-11-29 US disclosed
US-8222281-B2 Carboxylic acid compound DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-07-17 US disclosed
WO-2012072691-A1 INDANYLOXYDIHYDROBENZOFURANYLACETIC ACIDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-07 WO disclosed
WO-2012072691-A1 INDANYLOXYDIHYDROBENZOFURANYLACETIC ACIDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-07 WO 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

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-20110053974-A1 CARBOXYLIC ACID COMPOUND AKR1C3, SLC5A1, GPR119 OPRL1 1711/4885KCNH2 332/4885NOTUM 1195/4885
US-20120302566-A1 INDANYLOXYDIHYDROBENZOFURANYLACETIC ACIDS GPR119, INSR, GPR52 OPRL1 175/4885KCNH2 1949/4885NOTUM 2350/4885

“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.