SCHEMBL462645

SCHEMBL462645

Cc1nc2c3c(F)c(C(F)(F)F)ccc3nc(N3CCN(C)CC3)n2n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 3/20 0.42
PDE10A Q9Y233 1/20 0.39
CYP1A2 P05177 5/20 0.37
CYP3A4 P08684 5/20 0.37
CYP2D6 P10635 4/20 0.37
MAPK1 P28482 2/20 0.37
ADRB2 P07550 1/20 0.37
CNR2 P34972 3/20 0.37
TRPV4 Q9HBA0 2/20 0.36
CYP2C19 P33261 4/20 0.36
ALDH1A1 P00352 3/20 0.36
TSHR P16473 3/20 0.36
KDM4E B2RXH2 2/20 0.36
HSD17B10 Q99714 2/20 0.36
TDP1 Q9NUW8 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

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 SCHEMBL439832 0.99 HRH4 (0.41) HRH4PDE10ACYP1A2CYP3A4CYP2D6
SCHEMBL404705 0.86 HRH4 (0.45) HRH4PDE10ACYP3A4TRPV4ALDH1A1
SCHEMBL2465670 0.83 HRH4 (0.43) HRH4CYP1A2CYP3A4CYP2D6MAPK1
SCHEMBL10287060 0.78 PDE10A (0.42) PDE10A
SCHEMBL462916 0.77 HRH4 (0.49) HRH4PDE10ACYP1A2CYP3A4CYP2D6
SCHEMBL463625 0.77 HRH4 (0.49) HRH4PDE10ACYP1A2CYP3A4CYP2D6
Hydrochloric Acid SCHEMBL440067 0.76 HRH4 (0.48) HRH4PDE10ACYP1A2CYP3A4CYP2D6
Hydrochloric Acid SCHEMBL438231 0.76 HRH4 (0.48) HRH4PDE10ACYP1A2CYP3A4CYP2D6
SCHEMBL12224708 0.76 HRH4 (0.50) HRH4PDE10ACYP1A2CYP3A4CYP2D6
SCHEMBL440877 0.76 HRH4 (0.50) HRH4PDE10ACYP1A2CYP3A4CYP2D6

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 1/4885PDE10A 4079/4885CYP1A2 2609/4885
US-20120065187-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 HRH4 1/4885PDE10A 4079/4885CYP1A2 2609/4885
US-20110257137-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 HRH4 1/4885PDE10A 4079/4885CYP1A2 2609/4885

“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.