SCHEMBL7292136

SCHEMBL7292136

Fc1ccc2c(c1)OCC[CH]2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FABP6 P51161 1/20 0.38
HTR2C P28335 1/20 0.35
ADRA2A P08913 1/20 0.34
AKR1B1 P15121 3/20 0.33
MAPT P10636 2/20 0.33
AKR1B10 O60218 1/20 0.33
AKR1A1 P14550 1/20 0.33
CTNNB1 P35222 1/20 0.33
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 2/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.32
LMNA P02545 1/20 0.32
GAA P10253 1/20 0.32
HPGD P15428 1/20 0.32
STAT1 P42224 1/20 0.32
SMN1; SMN2 Q16637 1/20 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
SCHEMBL9585546 0.84 FABP6 (0.41) FABP6HTR2CAKR1B1MAPTAKR1B10
SCHEMBL7291256 0.76 MAPT (0.50) HTR2CADRA2AMAPTNPC1RAB9A
SCHEMBL7299079 0.76 MAPT (0.42) ADRA2AMAPTCTNNB1NPC1RAB9A
SCHEMBL3844432 0.76 MAPT (0.35) MAPTCTNNB1NPC1RAB9AKDM4E
SCHEMBL25247539 0.72 MAPT (0.35) FABP6HTR2CADRA2AAKR1B1MAPT
SCHEMBL1385583 0.72 FABP6 (0.35) FABP6HTR2CADRA2AAKR1B1MAPT
SCHEMBL30487410 0.72 MAPT (0.35) FABP6HTR2CADRA2AAKR1B1MAPT
SCHEMBL9585343 0.72 ALOX5 (0.43) HTR2CMAPTNPC1RAB9AKDM4E
SCHEMBL2924947 0.72 CTNNB1 (0.53) FABP6MAPTCTNNB1NPC1RAB9A
SCHEMBL131072 0.70 ITGB2 (0.52) MAPTKMT2AMEN1LMNAGAA

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-2794563-B1 HETEROCYCLYL DERIVATIVES AND THEIR USE AS PROSTAGLANDIN D2 RECEPTOR MODULATORS ACTELION PHARMACEUTICALS LTD (CH) 2017-02-22 EP disclosed
US-9255090-B2 Heterocyclyl derivatives and their use as prostaglandin D2 receptor modulators ACTELION PHARMACEUTICALS LTD. (CH) 2016-02-09 US disclosed
US-20150252036-A1 Heterocyclyl Derivatives and their use as Prostaglandin D2 Receptor Modulators IDORSIA PHARMACEUTICALS LTD (CH) 2015-09-10 US disclosed
EP-2794563-A1 HETEROCYCLYL DERIVATIVES AND THEIR USE AS PROSTAGLANDIN D2 RECEPTOR MODULATORS Actelion Pharmaceuticals Ltd. (CH) 2014-10-29 EP disclosed
WO-2013093842-A1 HETEROCYCLYL DERIVATIVES AND THEIR USE AS PROSTAGLANDIN D2 RECEPTOR MODULATORS ACTELION PHARMACEUTICALS LTD (CH) 2013-06-27 WO disclosed
US-5260444-A Cardiovascular, hypotensive WAKUNAGA SEIYAKU KABUSHIKI KAISHA (JP) 1993-11-09 US disclosed
US-5208245-A Hypotensive agents WAKUNAGA SEIYAKU KABUSHIKI KAISHA (JP) 1993-05-04 US disclosed
EP-0460418-A2 Novel Dihydropyridine derivative WAKUNAGA SEIYAKU KABUSHIKI KAISHA (JP) 1991-12-11 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 (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-20150252036-A1 Heterocyclyl Derivatives and their use as Prostaglandin D2 Receptor Modulators PTGDR, PTGER1, PTGDR2 FABP6 1192/4885HTR2C 288/4885ADRA2A 205/4885

“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.