SCHEMBL462646

SCHEMBL462646

Cc1nc2c3cc(C(F)(F)F)cc(F)c3nc(N3CCN(C)CC3)n2n1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 6/20 0.50
TRPV4 Q9HBA0 4/20 0.45
HSD17B10 Q99714 2/20 0.36
KMT2A Q03164 1/20 0.36
CNR1 P21554 2/20 0.36
CNR2 P34972 2/20 0.36
MET P08581 4/20 0.35
HRH3 Q9Y5N1 1/20 0.35
ADRB2 P07550 1/20 0.35
PDE10A Q9Y233 1/20 0.35
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP3A4 P08684 1/20 0.34
MAPT P10636 1/20 0.34
ALOX15 P16050 1/20 0.34
TSHR P16473 1/20 0.34

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
Hydrochloric Acid SCHEMBL439395 0.99 HRH4 (0.49) HRH4TRPV4HSD17B10KMT2ACNR1
SCHEMBL463086 0.87 HRH4 (0.51) HRH4HSD17B10KMT2AADRB2PDE10A
Hydrochloric Acid SCHEMBL438441 0.86 HRH4 (0.50) HRH4ADRB2PDE10AALDH1A1MAPT
SCHEMBL404728 0.85 HRH4 (0.54) HRH4TRPV4HSD17B10HRH3ADRB2
SCHEMBL406897 0.83 HRH4 (0.64) HRH4TRPV4HSD17B10HRH3KDM4E
SCHEMBL406905 0.83 HRH4 (0.52) HRH4TRPV4HSD17B10HRH3KDM4E
SCHEMBL12224922 0.83 HRH4 (0.52) HRH4TRPV4KMT2AMETHRH3
SCHEMBL440877 0.81 HRH4 (0.50) HRH4TRPV4HSD17B10KMT2AADRB2
SCHEMBL2538934 0.81 HRH4 (0.49) HRH4TRPV4HSD17B10METHRH3
SCHEMBL12225135 0.81 HRH4 (0.49) HRH4TRPV4HSD17B10HRH3PDE10A

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 4 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
US-20100120741-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2010-05-13 US disclosed
US-20100120741-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2010-05-13 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 (3 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-20100120741-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 HRH4 1/4885TRPV4 421/4885HSD17B10 3443/4885
US-20120065187-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 HRH4 1/4885TRPV4 421/4885HSD17B10 3443/4885
US-20110257137-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 HRH4 1/4885TRPV4 421/4885HSD17B10 3443/4885

“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.