SCHEMBL463625

SCHEMBL463625

Cc1nc2c3cc(C(F)(F)F)c(F)cc3nc(N3CCN(C)CC3)n2n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 3/20 0.49
CYP1A2 P05177 4/20 0.37
CYP3A4 P08684 3/20 0.37
CYP2D6 P10635 3/20 0.37
MAPK1 P28482 2/20 0.37
ADRB2 P07550 1/20 0.37
TRPV4 Q9HBA0 3/20 0.36
THRB P10828 1/20 0.36
HTR3E A5X5Y0 1/20 0.36
HTR3B O95264 1/20 0.36
HTR3A P46098 1/20 0.36
HTR3D Q70Z44 1/20 0.36
HTR3C Q8WXA8 1/20 0.36
CYP2C19 P33261 3/20 0.35
ALDH1A1 P00352 2/20 0.35
TSHR P16473 2/20 0.35
MEN1 O00255 1/20 0.35
USP2 O75604 1/20 0.35
KMT2A Q03164 1/20 0.35
HIF1A Q16665 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 SCHEMBL438231 0.99 HRH4 (0.48) HRH4CYP1A2CYP3A4CYP2D6MAPK1
SCHEMBL462916 0.95 HRH4 (0.49) HRH4CYP1A2CYP3A4CYP2D6MAPK1
Hydrochloric Acid SCHEMBL440067 0.94 HRH4 (0.48) HRH4CYP1A2CYP3A4CYP2D6MAPK1
SCHEMBL12224708 0.90 HRH4 (0.50) HRH4CYP1A2CYP3A4CYP2D6MAPK1
SCHEMBL404644 0.88 HRH4 (0.55) HRH4TRPV4THRBHTR3EHTR3B
SCHEMBL462918 0.88 HRH4 (0.50) HRH4CYP1A2ADRB2ALDH1A1SOS1
SCHEMBL438409 0.88 HRH4 (0.54) HRH4CYP1A2CYP3A4CYP2D6MAPK1
Hydrochloric Acid SCHEMBL438156 0.87 HRH4 (0.49) HRH4CYP1A2ADRB2ALDH1A1SOS1
SCHEMBL404917 0.86 HRH4 (0.53) HRH4TRPV4THRBHTR3EHTR3B
SCHEMBL12224944 0.86 PDE10A (0.38) HRH4CYP1A2CYP3A4CYP2D6MAPK1

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 1/4885CYP1A2 2609/4885CYP3A4 2376/4885
US-20120065187-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 HRH4 1/4885CYP1A2 2609/4885CYP3A4 2376/4885
US-20110257137-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 HRH4 1/4885CYP1A2 2609/4885CYP3A4 2376/4885

“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.