SCHEMBL404728

SCHEMBL404728

Cc1cc(F)c2nc(N3CCN(C)CC3)n3nc(C)nc3c2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 5/20 0.54
TRPV4 Q9HBA0 8/20 0.37
THRB P10828 1/20 0.37
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
CYP3A4 P08684 1/20 0.36
MAPT P10636 1/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
HSD17B10 Q99714 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
ADRB2 P07550 1/20 0.35
NPC1 O15118 1/20 0.35
TP53 P04637 1/20 0.35
CASP1 P29466 1/20 0.35
RAB9A P51151 1/20 0.35
CASP7 P55210 1/20 0.35
ADORA3 P0DMS8 1/20 0.35
ADORA2A P29274 1/20 0.35
ADORA1 P30542 1/20 0.35

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
SCHEMBL406905 0.88 HRH4 (0.52) HRH4TRPV4THRBKDM4EALDH1A1
SCHEMBL406897 0.88 HRH4 (0.64) HRH4TRPV4THRBKDM4EALDH1A1
SCHEMBL405004 0.86 HRH4 (0.55) HRH4THRBADRB2ADORA3ADORA2A
SCHEMBL462646 0.85 HRH4 (0.50) HRH4TRPV4KDM4EALDH1A1CYP3A4
SCHEMBL12225135 0.84 HRH4 (0.49) HRH4TRPV4THRBKDM4EALDH1A1
SCHEMBL2538934 0.84 HRH4 (0.49) HRH4TRPV4KDM4EALDH1A1CYP3A4
Hydrochloric Acid SCHEMBL439395 0.84 HRH4 (0.49) HRH4TRPV4KDM4EALDH1A1CYP3A4
SCHEMBL404644 0.81 HRH4 (0.55) HRH4TRPV4THRBHRH3TP53
SCHEMBL404917 0.79 HRH4 (0.53) HRH4TRPV4THRBMAPTHRH3
SCHEMBL405866 0.79 HRH4 (0.53) HRH4TRPV4THRBMAPTHRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120065187-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE ALCON RESEARCH, LTD (US) 2012-03-15 US disclosed
US-20110257137-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2011-10-20 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 (2 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-20120065187-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 HRH4 1/4885TRPV4 421/4885THRB 790/4885
US-20110257137-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 HRH4 1/4885TRPV4 421/4885THRB 790/4885

“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.