SCHEMBL405472

SCHEMBL405472

Cc1ccc2nc(N3CCN(C)CC3)c(Cl)nc2c1F

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 11/20 0.57
HTR3B O95264 4/20 0.57
HTR3A P46098 4/20 0.57
SMN1; SMN2 Q16637 1/20 0.46
HTR3E A5X5Y0 3/20 0.40
HTR3D Q70Z44 3/20 0.40
HTR3C Q8WXA8 3/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
TSHR P16473 1/20 0.40
HRH3 Q9Y5N1 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
SCHEMBL463028 0.83 HRH4 (0.53) HRH4HTR3BHTR3ASMN1; SMN2HTR3E
SCHEMBL405137 0.76 TDP1 (0.38) SMN1; SMN2KDM4EALDH1A1
SCHEMBL405787 0.75 HRH4 (0.60) HRH4HTR3BHTR3ASMN1; SMN2HTR3E
SCHEMBL6362360 0.75 HRH4 (0.68) HRH4HTR3BHTR3ASMN1; SMN2HTR3E
SCHEMBL406322 0.74 HRH4 (0.67) HRH4HTR3BHTR3ASMN1; SMN2HTR3E
SCHEMBL404202 0.73 HRH4 (0.70) HRH4HTR3BHTR3ASMN1; SMN2HTR3E
SCHEMBL27661218 0.73 HRH4 (0.70) HRH4HTR3BHTR3ASMN1; SMN2HTR3E
SCHEMBL404203 0.73 HRH4 (1.00) HRH4HTR3BHTR3AHTR3EHTR3D
Hydrochloric Acid SCHEMBL29694104 0.72 HRH4 (0.97) HRH4HTR3BHTR3AHTR3EHTR3D
SCHEMBL5774076 0.71 HRH4 (0.72) HRH4HTR3BHTR3AHRH3

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.