SCHEMBL463086

SCHEMBL463086

Cc1nc2c3cc(C(F)(F)F)cc(F)c3nc(N3CCNCC3)n2n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 4/20 0.51
ADRB1 P08588 2/20 0.41
SOS1 Q07889 6/20 0.40
HTR6 P50406 3/20 0.36
HTR2C P28335 2/20 0.36
ADRB2 P07550 2/20 0.36
ADRA2A P08913 1/20 0.36
AXL P30530 1/20 0.36
HRH1 P35367 1/20 0.36
HTR2B P41595 1/20 0.36
MKNK1 Q9BUB5 1/20 0.36
MKNK2 Q9HBH9 1/20 0.36
HTR3E A5X5Y0 1/20 0.35
HTR3B O95264 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HTR1D P28221 1/20 0.35
HTR3A P46098 1/20 0.35
HTR3D Q70Z44 1/20 0.35
HTR3C Q8WXA8 1/20 0.35
SIGMAR1 Q99720 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
Hydrochloric Acid SCHEMBL438441 0.99 HRH4 (0.50) HRH4ADRB1SOS1HTR6HTR2C
SCHEMBL462646 0.87 HRH4 (0.50) HRH4ADRB2ALDH1A1MAPTPDE10A
Hydrochloric Acid SCHEMBL439395 0.86 HRH4 (0.49) HRH4ADRB2ALDH1A1MAPTPDE10A
SCHEMBL405004 0.86 HRH4 (0.55) HRH4SOS1HTR6HTR2CADRB2
SCHEMBL12224750 0.84 HRH4 (0.53) HRH4SOS1HTR6
SCHEMBL406898 0.84 HRH4 (0.65) HRH4ADRB1SOS1PDE10A
SCHEMBL442398 0.82 HRH4 (0.51) HRH4ADRB1SOS1HTR6HTR2C
SCHEMBL12224923 0.82 ADRB1 (0.41) HRH4ADRB1SOS1HTR6HTR2C
SCHEMBL440396 0.80 PDE10A (0.53) HRH4ADRB1SOS1HTR6HTR2C
SCHEMBL462902 0.79 HRH4 (0.50) HRH4SOS1HTR6HTR2CADRB2

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 1/4885ADRB1 625/4885SOS1 3564/4885
US-20120065187-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 HRH4 1/4885ADRB1 625/4885SOS1 3564/4885
US-20110257137-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 HRH4 1/4885ADRB1 625/4885SOS1 3564/4885

“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.