SCHEMBL904927

SCHEMBL904927

CCCCC(c1ccc(F)cc1)c1ccc(F)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 6/20 0.47
MAPK1 P28482 2/20 0.44
FAAH O00519 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
TSHR P16473 1/20 0.44
ALOX12 P18054 1/20 0.44
MTOR P42345 1/20 0.44
RAB9A P51151 1/20 0.44
SCN5A Q14524 1/20 0.44
MEN1 O00255 1/20 0.43
BLM P54132 1/20 0.43
PMP22 Q01453 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CACNA1B Q00975 2/20 0.43
MITF O75030 1/20 0.41
LMNA P02545 1/20 0.41
CNR1 P21554 1/20 0.41
CNR2 P34972 1/20 0.41

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
SCHEMBL7789674 0.94 CYP19A1 (0.46) CYP19A1MAPK1FAAHCYP3A4CYP2D6
SCHEMBL21023395 0.92 ACHE (0.48) CYP19A1MAPK1FAAHCYP3A4CYP2D6
SCHEMBL14288444 0.92 TBXA2R (0.46) CYP19A1MAPK1FAAHCYP3A4CYP2D6
SCHEMBL7714102 0.86 CYP19A1 (0.44) CYP19A1MAPK1FAAHCYP3A4CYP2D6
SCHEMBL14033240 0.86 SLC6A3 (0.43) CYP19A1MAPK1FAAHCYP3A4CYP2D6
SCHEMBL21555834 0.83 HTR7 (0.41) HTR7SLC6A3
SCHEMBL9278852 0.81 HTR7 (0.40) HTR7SLC6A3
SCHEMBL904814 0.81 CACNA1B (0.49) CYP19A1MAPK1FAAHCYP3A4CYP2D6
SCHEMBL18503058 0.81 AOC3 (0.52) MEN1KMT2AHTR7SIGMAR1
SCHEMBL9232425 0.81 HTR7 (0.40) HTR7SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018011375-A1 MECLOZINE DERIVATIVES AND DICLAZURIL DERIVATIVES FOR USE IN THE PREVENTION AND/OR THE TREATMENT OF DISORDERS ASSOCIATED TO THE INFLAMMATION INDUCED BY P. ACNES UNIVERSITE PARIS DESCARTES (FR) 2018-01-18 WO disclosed
EP-3138841-A1 D2 ANTAGONISTS, METHODS OF SYNTHESIS AND METHODS OF USE Altos Therapeutics, LLC (US) 2017-03-08 EP disclosed
US-9156840-B2 D2 antagonists, methods of synthesis and methods of use Altos Therapeutics, LLC (US) 2015-10-13 US disclosed
US-20140350005-A1 D2 ANTAGONISTS, METHODS OF SYNTHESIS AND METHODS OF USE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-11-27 US disclosed
US-8691836-B2 D2 antagonists, methods of synthesis and methods of use Altos Therapeutics, LLC (US) 2014-04-08 US disclosed
US-20120214798-A1 Novel Ethanediamone Hepcidine Antagonists VIFOR (INTERNATIONAL) AG (CH) 2012-08-23 US disclosed
US-20120010228-A1 D2 ANTAGONISTS, METHODS OF SYNTHESIS AND METHODS OF USE Altos Therapeutics, LLC 2012-01-12 US disclosed
WO-2011143444-A2 DIPHENYLBUTYPIPERIDINE AUTOPHAGY INDUCERS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2011-11-17 WO disclosed
US-7919508-B2 3-piperidinylisochroman-5-ols as dopamine agonists AVENTIS PHARMACEUTICALS INC. (US) 2011-04-05 US disclosed
US-7919508-B2 3-piperidinylisochroman-5-ols as dopamine agonists AVENTIS PHARMACEUTICALS INC. (US) 2011-04-05 US disclosed
EP-1749001-B1 3-PIPERIDINYLISOCHROMAN-5-OLS AS DOPAMINE AGONISTS AVENTIS PHARMA INC (US) 2010-03-03 EP disclosed
US-20080280904-A1 N-Substituted Pyridinone or Pyrimidinone Compounds Useful as Soluble Epoxide Hydrolase Inhibitors ELDRUP ANNE BETTINA 2008-11-13 US disclosed
WO-2007106705-A1 SOLUBLE EPOXIDE HYDROLASE INHIBITORS AND METHODS OF USING SAME BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-09-20 WO disclosed
US-20070099955-A1 3-PIPERIDINYLISOCHROMAN-5-OLS AS DOPAMINE AGONISTS AVENTIS PHARMACEUTICALS INC. (US) 2007-05-03 US disclosed
US-20070099955-A1 3-PIPERIDINYLISOCHROMAN-5-OLS AS DOPAMINE AGONISTS AVENTIS PHARMACEUTICALS INC. (US) 2007-05-03 US 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 (5 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-20140350005-A1 D2 ANTAGONISTS, METHODS OF SYNTHESIS AND METHODS OF USE DRD2, DRD3, AVPR2 CYP19A1 1069/4885MAPK1 2813/4885FAAH 1030/4885
US-20080280904-A1 N-Substituted Pyridinone or Pyrimidinone Compounds Useful as Soluble Epoxide Hydrolase Inhibitors EPHX1, EPHX2, DOHH CYP19A1 582/4885MAPK1 4103/4885FAAH 18/4885
US-20070099955-A1 3-PIPERIDINYLISOCHROMAN-5-OLS AS DOPAMINE AGONISTS DRD3, DRD2, DRD4 CYP19A1 1539/4885MAPK1 605/4885FAAH 1164/4885
US-20120214798-A1 Novel Ethanediamone Hepcidine Antagonists HAMP, SLC40A1, FTH1 CYP19A1 784/4885MAPK1 2573/4885FAAH 428/4885
US-20120010228-A1 D2 ANTAGONISTS, METHODS OF SYNTHESIS AND METHODS OF USE DRD2, DRD3, AVPR2 CYP19A1 1069/4885MAPK1 2813/4885FAAH 1030/4885

“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.