SCHEMBL6307263

SCHEMBL6307263

N[C@@H](Cc1ccc2ccccc2c1)[C@H](O)C(F)(F)F

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.54
HTR2C P28335 1/20 0.54
HTR2B P41595 1/20 0.54
TACR1 P25103 2/20 0.41
MC4R P32245 4/20 0.41
MC5R P33032 4/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2A6 P11509 1/20 0.41
DPP4 P27487 1/20 0.40
F2 P00734 1/20 0.40
MC3R P41968 3/20 0.40
SLC1A3 P43003 1/20 0.40
SLC1A2 P43004 1/20 0.40
SLC1A1 P43005 1/20 0.40
MC1R Q01726 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
ADRB2 P07550 2/20 0.39

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
SCHEMBL6556276 0.80 EPHX1 (0.48) CYP2A6SLC1A3SLC1A2SLC1A1SIGMAR1
SCHEMBL10622532 0.80 EPHX1 (0.48) CYP2A6SLC1A3SLC1A2SLC1A1SIGMAR1
Hydrochloric Acid SCHEMBL5711578 0.78 EPHX1 (0.47) CYP2A6SLC1A3SLC1A2SLC1A1SIGMAR1
SCHEMBL11748582 0.78 HTR2A (0.67) HTR2AHTR2CHTR2BTACR1MC4R
SCHEMBL7342778 0.78 HTR2A (0.57) HTR2AHTR2CHTR2BTACR1MC4R
SCHEMBL14387258 0.76 HTR2A (0.55) HTR2AHTR2CHTR2BTACR1MC4R
SCHEMBL5704618 0.75 ESR1 (0.53)
SCHEMBL9543643 0.75 ESR1 (0.37) ADRB2
SCHEMBL17407614 0.75 HTR2A (0.73) HTR2AHTR2CHTR2BTACR1MC4R
SCHEMBL5704643 0.73 SLC6A4 (0.52) HTR2AHTR2BCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1599178-A1 MEANS AND METHOD FOR DYEING KERATIN FIBRES Wella Aktiengesellschaft (DE) 2005-11-30 EP disclosed
US-6852744-B2 Pyrrolidine derivatives and their use as chymase inhibitor DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 2005-02-08 US disclosed
WO-2004078151-A1 MEANS AND METHOD FOR DYEING KERATIN FIBRES WELLA AKTIENGESELLSCHAFT (DE) 2004-09-16 WO disclosed
US-20040102384-A1 Pyrrolidine derivatives and their use as chymase inhibitor DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 2004-05-27 US disclosed
EP-1313730-A1 PYRROLIDINE DERIVATIVES AND THEIR USE AS CHYMASE INHIBITOR Dainippon Pharmaceutical Co., Ltd. (JP) 2003-05-28 EP disclosed
WO-2002018378-A1 PYRROLIDINE DERIVATIVES AND THEIR USE AS CHYMASE INHIBITOR DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 2002-03-07 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-20040102384-A1 Pyrrolidine derivatives and their use as chymase inhibitor CMA1, CTRL, TPSD1 HTR2A 2892/4885HTR2C 2227/4885HTR2B 1908/4885

“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.