SCHEMBL404446

SCHEMBL404446

Cc1cc(F)c2nc(N3CCN(C)CC3)c(Cl)nc2c1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 8/20 0.54
HTR3B O95264 2/20 0.54
HTR3A P46098 2/20 0.54
SMN1; SMN2 Q16637 3/20 0.46
KDM4E B2RXH2 3/20 0.42
ALDH1A1 P00352 2/20 0.42
HPGD P15428 2/20 0.42
TSHR P16473 2/20 0.42
TP53 P04637 1/20 0.40
HTR3E A5X5Y0 1/20 0.39
HTR3D Q70Z44 1/20 0.39
HTR3C Q8WXA8 1/20 0.39
HTR1A P08908 1/20 0.39
DRD2 P14416 1/20 0.39
DRD4 P21917 1/20 0.39

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
SCHEMBL10285833 0.83 HRH4 (0.50) HRH4HTR3BHTR3ASMN1; SMN2KDM4E
SCHEMBL406322 0.80 HRH4 (0.67) HRH4HTR3BHTR3ASMN1; SMN2HTR3E
SCHEMBL405787 0.78 HRH4 (0.60) HRH4HTR3BHTR3ASMN1; SMN2HTR3E
SCHEMBL29343953 0.77 SMN1; SMN2 (0.54) HRH4HTR3BHTR3ASMN1; SMN2KDM4E
SCHEMBL27661218 0.76 HRH4 (0.70) HRH4HTR3BHTR3ASMN1; SMN2KDM4E
SCHEMBL404202 0.76 HRH4 (0.70) HRH4HTR3BHTR3ASMN1; SMN2KDM4E
SCHEMBL404215 0.76 HRH4 (0.61) HRH4HTR3BHTR3ASMN1; SMN2HTR3E
SCHEMBL405383 0.76 KMT2A (0.39) SMN1; SMN2KDM4EALDH1A1
SCHEMBL14828844 0.74 HRH4 (0.55) HRH4HTR3BHTR3ASMN1; SMN2KDM4E
SCHEMBL405806 0.73 HRH4 (0.73) HRH4HTR3BHTR3ASMN1; SMN2HTR3E

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 2 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20120065187-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 HRH4 1/4885HTR3B 113/4885HTR3A 153/4885
US-20110257137-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 HRH4 1/4885HTR3B 113/4885HTR3A 153/4885

“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.