SCHEMBL9275083

SCHEMBL9275083

O[C@H]1CCc2c1cccc2C(F)(F)C(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 3/20 0.38
CYP11B2 P19099 3/20 0.38
PNMT P11086 1/20 0.37
S1PR1 P21453 4/20 0.36
POLL Q9UGP5 1/20 0.35
NR3C2 P08235 1/20 0.34
CHRNB2 P17787 1/20 0.34
CHRNA4 P43681 1/20 0.34
GAA P10253 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
HTR2C P28335 2/20 0.33
TRPV1 Q8NER1 1/20 0.32
FFAR1 O14842 3/20 0.32

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
SCHEMBL1508485 0.86 CYP11B1 (0.44) CYP11B1CYP11B2PNMTS1PR1CHRNB2
SCHEMBL29668889 0.86 CYP11B1 (0.44) CYP11B1CYP11B2PNMTS1PR1CHRNB2
SCHEMBL29878084 0.86 CYP11B1 (0.44) CYP11B1CYP11B2PNMTS1PR1CHRNB2
SCHEMBL15531953 0.86 CYP11B1 (0.44) CYP11B1CYP11B2PNMTS1PR1CHRNB2
SCHEMBL1508513 0.86 CYP11B1 (0.44) CYP11B1CYP11B2PNMTS1PR1CHRNB2
SCHEMBL9886216 0.86 S1PR1 (0.36) CYP11B1CYP11B2PNMTS1PR1POLL
SCHEMBL18410118 0.83 S1PR1 (0.38) CYP11B1CYP11B2PNMTS1PR1POLL
SCHEMBL9886305 0.82 POLL (0.39) CYP11B1CYP11B2S1PR1POLLNR3C2
SCHEMBL17563589 0.79 CA2 (0.41) CYP11B1CYP11B2S1PR1POLLNR3C2
SCHEMBL17563590 0.79 CA2 (0.41) CYP11B1CYP11B2S1PR1POLLNR3C2

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 8 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-2646425-B1 Indanyloxydihydrobenzofuranylacetic acids useful for the treatment of metabolic syndrome BOEHRINGER INGELHEIM INT (DE) 2015-06-10 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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20120302566-A1 INDANYLOXYDIHYDROBENZOFURANYLACETIC ACIDS GPR119, INSR, GPR52 CYP11B1 383/4885CYP11B2 482/4885PNMT 2568/4885

“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.