SCHEMBL2467676

SCHEMBL2467676

CCc1nc2c3cc(C(F)(F)F)ccc3nc(N3CCN(C)CC3)n2n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.41
DGAT1 O75907 2/20 0.41
SOAT1 P35610 2/20 0.41
ADRB2 P07550 1/20 0.40
HTR3E A5X5Y0 2/20 0.40
HTR3B O95264 2/20 0.40
HTR3A P46098 2/20 0.40
HTR3D Q70Z44 2/20 0.40
HTR3C Q8WXA8 2/20 0.40
CYP3A4 P08684 2/20 0.40
CYP2D6 P10635 2/20 0.40
CYP2C19 P33261 2/20 0.40
KDM4E B2RXH2 1/20 0.40
TP53 P04637 1/20 0.40
CYP1A2 P05177 1/20 0.40
HTR1A P08908 1/20 0.40
TSHR P16473 1/20 0.40
NFKB1 P19838 1/20 0.40
HTR1D P28221 1/20 0.40
HTR2C P28335 1/20 0.40

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
SCHEMBL12245398 0.90 CREBBP (0.35) MCHR1
SCHEMBL2467933 0.88 SOS1 (0.45) ADRB2HTR3EHTR3BHTR3AHTR3D
SCHEMBL440877 0.85 HRH4 (0.50) KCNH2DGAT1SOAT1ADRB2HTR3E
SCHEMBL442228 0.85 DGAT1 (0.45) KCNH2DGAT1SOAT1ADRB2HTR3E
SCHEMBL12225133 0.84 HRH4 (0.48) ADRB2HTR3EHTR3BHTR3AHTR3D
SCHEMBL406114 0.83 HRH4 (0.50) HTR3AKDM4EHRH4
SCHEMBL13334488 0.83 KCNH2 (0.43) KCNH2DGAT1SOAT1ADRB2HTR3E
SCHEMBL12224944 0.82 PDE10A (0.38) ADRB2HTR3EHTR3BHTR3AHTR3D
SCHEMBL12224740 0.80 HRH4 (0.52) KCNH2DGAT1SOAT1ADRB2HTR3E
SCHEMBL2467734 0.78 ADRB2 (0.44) KCNH2DGAT1SOAT1ADRB2HTR3E

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110257137-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2011-10-20 US disclosed
US-20110257137-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2011-10-20 US disclosed
WO-2011112731-A2 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2011-09-15 WO 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 (1 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-20110257137-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 KCNH2 630/4885DGAT1 4371/4885SOAT1 2928/4885

“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.