SCHEMBL2465345

SCHEMBL2465345

Cc1cc2c3cc(Cl)ccc3nc(N3CCN(C)CC3)n2n1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 12/20 0.52
HTR3A P46098 11/20 0.52
PDE10A Q9Y233 2/20 0.48
KDM4E B2RXH2 2/20 0.48
USP2 O75604 1/20 0.48
ALDH1A1 P00352 1/20 0.48
CASP1 P29466 1/20 0.48
CASP7 P55210 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
HTR3E A5X5Y0 1/20 0.45
HTR3B O95264 1/20 0.45
HTR3D Q70Z44 1/20 0.45
HTR3C Q8WXA8 1/20 0.45
HRH3 Q9Y5N1 1/20 0.44
KDM1A O60341 1/20 0.43
PKM P14618 1/20 0.43
HSD17B10 Q99714 1/20 0.43

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
SCHEMBL12225267 0.88 HRH4 (0.51) HRH4HTR3APDE10AKDM4EALDH1A1
SCHEMBL2464297 0.85 HTT (0.47) HRH4HTR3AKDM4EALDH1A1CASP1
SCHEMBL2467734 0.82 ADRB2 (0.44) HRH4HTR3AKDM4EHTR3EHTR3B
SCHEMBL12225266 0.82 HTR3A (0.43) HRH4HTR3APDE10AKDM4EALDH1A1
SCHEMBL2467903 0.82 HTR3E (0.43) HRH4HTR3AKDM4EUSP2ALDH1A1
SCHEMBL405768 0.81 HRH4 (0.65) HRH4HTR3APDE10AKDM4EUSP2
SCHEMBL2466831 0.81 HTR3A (0.69) HRH4HTR3AKDM4EUSP2ALDH1A1
SCHEMBL2533696 0.81 HRH4 (0.52) HRH4HTR3AKDM4EUSP2ALDH1A1
SCHEMBL12329607 0.80 HTR3E (0.41) HTR3APDE10AKDM4EALDH1A1HTR3E
SCHEMBL405351 0.78 HRH4 (0.52) HRH4HTR3AKDM4EUSP2ALDH1A1

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 5 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
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
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 HRH4 1/4885HTR3A 153/4885PDE10A 4079/4885

“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.