SCHEMBL463619

SCHEMBL463619

Cc1nc2c3cc(OC(F)(F)F)ccc3nc(N3CCN(C)CC3)n2n1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 5/20 0.52
HRH4 Q9H3N8 1/20 0.47
MCHR1 Q99705 2/20 0.42
PDE10A Q9Y233 2/20 0.40
ADRB2 P07550 1/20 0.40
PIM1 P11309 1/20 0.39
DNMT1 P26358 1/20 0.39
RAD52 P43351 1/20 0.39
HTR3E A5X5Y0 1/20 0.39
HTR3B O95264 1/20 0.39
HTR3A P46098 1/20 0.39
HTR3D Q70Z44 1/20 0.39
HTR3C Q8WXA8 1/20 0.39
ACVR1 Q04771 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAP4K1 Q92918 1/20 0.37
SCN4A P35499 1/20 0.36
SCN9A Q15858 1/20 0.36
SLC2A1 P11166 1/20 0.36
MAPK7 Q13164 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
Hydrochloric Acid SCHEMBL440407 0.99 TRPV4 (0.52) TRPV4HRH4MCHR1PDE10AADRB2
SCHEMBL10285842 0.88 SCN4A (0.50) TRPV4HRH4MCHR1PDE10AADRB2
Hydrochloric Acid SCHEMBL433215 0.87 SCN4A (0.49) TRPV4HRH4MCHR1PDE10AADRB2
SCHEMBL404657 0.86 PDE10A (0.53) TRPV4HRH4PDE10ADNMT1RAD52
SCHEMBL440877 0.83 HRH4 (0.50) TRPV4HRH4MCHR1PDE10AADRB2
SCHEMBL404714 0.81 HRH4 (0.55) HRH4PDE10AADRB2HTR3EHTR3B
SCHEMBL405084 0.80 HRH4 (0.51) HRH4PDE10AHTR3EHTR3BHTR3A
SCHEMBL405790 0.79 HRH4 (0.53) HRH4PDE10AHTR3EHTR3BHTR3A
SCHEMBL405768 0.79 HRH4 (0.65) HRH4PDE10AHTR3AALDH1A1
SCHEMBL463648 0.79 PDE10A (0.44) PDE10ASCN4ASCN9A

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 TRPV4 421/4885HRH4 1/4885MCHR1 54/4885
US-20120065187-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 TRPV4 421/4885HRH4 1/4885MCHR1 54/4885
US-20110257137-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 TRPV4 421/4885HRH4 1/4885MCHR1 54/4885

“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.