SCHEMBL2013956

SCHEMBL2013956

Fc1c(Br)ccc(Cl)c1Cl

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.35
MAPK1 P28482 1/20 0.35
KDM1A O60341 2/20 0.33
KCNH2 Q12809 2/20 0.33
KDM1B Q8NB78 2/20 0.33
CYP2A6 P11509 1/20 0.31
AHR P35869 1/20 0.30
CXCR1 P25024 1/20 0.30
CXCR2 P25025 1/20 0.30

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
SCHEMBL31070219 1.00 CYP3A4 (0.35) CYP3A4MAPK1KDM1AKCNH2KDM1B
SCHEMBL2014602 0.81 KDM1A (0.39) KDM1AKCNH2KDM1B
SCHEMBL31342136 0.81 KDM1A (0.39) KDM1AKCNH2KDM1B
SCHEMBL30223191 0.79 HTR2A (0.32)
SCHEMBL29414007 0.79 TNF (0.35) KDM1AKCNH2KDM1B
SCHEMBL1003501 0.79 TNF (0.35) KDM1AKCNH2KDM1B
SCHEMBL4458219 0.77 CYP3A4 (0.41) CYP3A4MAPK1CYP2A6AHR
SCHEMBL30384989 0.77 NOTUM (0.40) KDM1AKCNH2KDM1B
SCHEMBL17711300 0.77 NOTUM (0.40) KDM1AKCNH2KDM1B
SCHEMBL2892194 0.75 ALDH1A1 (0.33) KDM1AKCNH2KDM1B

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-3150607-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF AbbVie Inc. (US) 2017-04-05 EP disclosed
EP-2560973-B1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF ABBVIE INC (US) 2016-11-16 EP disclosed
US-8546377-B2 Modulators of 5-HT receptors and methods of use thereof ABBVIE INC. (US) 2013-10-01 US disclosed
EP-2560973-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF Abbvie Inc. (US) 2013-02-27 EP disclosed
WO-2011133182-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2011-10-27 WO disclosed
US-20110130382-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2011-06-02 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 (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-20110130382-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF HTR4, HTR1A, HTR1D CYP3A4 296/4885MAPK1 2664/4885KDM1A 813/4885

“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.