SCHEMBL14784825

SCHEMBL14784825

CC(F)COc1ccc(Cl)cc1CBr

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PTGER1 P34995 8/20 0.41
▸ KDM1A O60341 1/20 0.40
▸ HTR2A P28223 2/20 0.40
▸ HTR2C P28335 2/20 0.40
▸ HTR2B P41595 2/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ MAPT P10636 3/20 0.40
▸ PKM P14618 2/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ SCN4A P35499 2/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ THRB P10828 1/20 0.38
▸ GPR55 Q9Y2T6 1/20 0.38
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ CCR5 P51681 1/20 0.36

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
SCHEMBL18783694 0.89 HTR2A (0.50) PTGER1KDM1AHTR2AHTR2CHTR2B
SCHEMBL3044927 0.87 KDM1A (0.52) PTGER1KDM1ACYP1A2CYP2D6MAPT
SCHEMBL14785158 0.86 MAPT (0.55) PTGER1KDM1ACYP1A2CYP2D6MAPT
SCHEMBL14784911 0.84 PTGER1 (0.40) PTGER1KDM1AHTR2AHTR2CHTR2B
SCHEMBL15076234 0.83 CYP1A2 (0.42) PTGER1KDM1ACYP1A2CYP2D6MAPT
SCHEMBL30646923 0.78 L3MBTL1 (0.48) HTR2AHTR2CHTR2BCYP1A2CYP2D6
SCHEMBL1097224 0.78 L3MBTL1 (0.48) HTR2AHTR2CHTR2BCYP1A2CYP2D6
SCHEMBL18783949 0.77 MAPT (0.58) HTR2CHTR2BMAPTPKML3MBTL1
SCHEMBL18783679 0.77 HTR2C (0.50) HTR2AHTR2CHTR2BMAPTPKM
SCHEMBL14785122 0.76 PKM (0.41) PTGER1HTR2AHTR2CHTR2BCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2766344-B1 EP1 RECEPTOR LIGANDS ESTEVE LABOR DR (ES) 2017-05-03 — — EP disclosed
US-9518015-B2 EP1 receptor ligands LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2016-12-13 — — US disclosed
US-20140323475-A1 EP1 RECEPTOR LIGANDS ESTEVE PHARMACEUTICALS, S.A. (ES) 2014-10-30 — — US disclosed
EP-2766344-A1 EP1 RECEPTOR LIGANDS Laboratorios Del. Dr. Esteve, S.A. (ES) 2014-08-20 — — EP disclosed
WO-2013037960-A1 EP1 RECEPTOR LIGANDS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2013-03-21 — — 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-20140323475-A1 EP1 RECEPTOR LIGANDS PTGER1, PTGER2, PTGIR PTGER1 1/4885KDM1A 3241/4885HTR2A 400/4885

“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.

Send feedback