SCHEMBL9280547

SCHEMBL9280547

O[C@@H]1CCc2ccc(C(F)(F)F)cc21

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 4/20 0.50
HTR2B P41595 4/20 0.50
HTR2A P28223 3/20 0.50
CYP11B1 P15538 4/20 0.48
CYP11B2 P19099 4/20 0.48
KDM1A O60341 1/20 0.47
PNMT P11086 1/20 0.45
SLC6A4 P31645 2/20 0.41
CHRNB2 P17787 2/20 0.41
CHRNA4 P43681 2/20 0.41
CHRNB4 P30926 1/20 0.41
CHRNA3 P32297 1/20 0.41
CHRM4 P08173 1/20 0.41
HTR7 P34969 1/20 0.41
CTSD P07339 1/20 0.40
SRD5A1 P18405 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
SCHEMBL30233705 1.00 HTR2C (0.50) HTR2CHTR2BHTR2ACYP11B1CYP11B2
SCHEMBL9275726 1.00 HTR2C (0.50) HTR2CHTR2BHTR2ACYP11B1CYP11B2
SCHEMBL3684837 1.00 HTR2C (0.50) HTR2CHTR2BHTR2ACYP11B1CYP11B2
SCHEMBL16790833 0.86 HTR2C (0.41) HTR2CHTR2BHTR2ACYP11B1CYP11B2
SCHEMBL9277820 0.86 SRD5A1 (0.49) HTR2CHTR2BHTR2ACYP11B1CYP11B2
SCHEMBL3682570 0.86 SRD5A1 (0.49) HTR2CHTR2BHTR2ACYP11B1CYP11B2
SCHEMBL30686716 0.86 SRD5A1 (0.49) HTR2CHTR2BHTR2ACYP11B1CYP11B2
SCHEMBL6939154 0.82 CHRM4 (0.39) HTR2CHTR2BHTR2ACYP11B1CYP11B2
SCHEMBL17563592 0.82 CHRM4 (0.39) HTR2CHTR2BHTR2ACYP11B1CYP11B2
SCHEMBL17563591 0.82 CHRM4 (0.39) HTR2CHTR2BHTR2ACYP11B1CYP11B2

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 HTR2C 1014/4885HTR2B 702/4885HTR2A 419/4885

“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.