SCHEMBL2173498

SCHEMBL2173498

CNC1=NC(C)(N)C=C(N2CCN(C)CC2)N1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 4/20 0.33
ADRA2C P18825 3/20 0.33
KDM4E B2RXH2 2/20 0.33
GAA P10253 2/20 0.33
MAPT P10636 2/20 0.33
PTK2B Q14289 2/20 0.33
ALDH1A1 P00352 2/20 0.33
DRD2 P14416 1/20 0.33
DRD4 P21917 1/20 0.33
GFER P55789 1/20 0.33
KMT2A Q03164 1/20 0.33
ESR2 Q92731 1/20 0.33
MAPK1 P28482 1/20 0.33
HTT P42858 1/20 0.33
RECQL P46063 1/20 0.33
HRH4 Q9H3N8 3/20 0.32
HRH3 Q9Y5N1 1/20 0.32

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
SCHEMBL16840715 0.57 CCND3 (0.50) HTR3AADRA2CKDM4EGAAMAPT
SCHEMBL12190706 0.56 MAPT (0.63) HTR3AADRA2CKDM4EGAAMAPT
SCHEMBL2264251 0.56 ADRA2C (0.59) ADRA2CKDM4EGAAMAPTPTK2B
SCHEMBL25590723 0.55 KDM4E (0.47) HTR3AKDM4EALDH1A1HRH4HRH3
SCHEMBL30309965 0.55 KDM4E (0.47) ADRA2CKDM4EGAAMAPTPTK2B
SCHEMBL12845203 0.54 RAB9A (0.57) HTR3AKDM4EGAAMAPTALDH1A1
SCHEMBL13490012 0.54 HTR3A (0.62) HTR3AKDM4EALDH1A1HRH4HRH3
SCHEMBL29150947 0.54 ADRA2C (0.44) HTR3AADRA2CKDM4EGAAMAPT
SCHEMBL14869922 0.54 POLB (0.35) HTT
SCHEMBL29339678 0.54 HTR3A (0.46) HTR3AADRA2CKDM4EGAAMAPT

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-7985745-B2 Including inflammatory pain, post surgical pain, and neuropathic pain; administering a histamine H4 receptor ligand alone or in combination with a histamine H1, H2, or H3 receptor antagonist or an enzyme inhibitor ABBOTT LABORATORIES (US) 2011-07-26 US disclosed
US-20080194538-A1 Method for Pain Treatment ABBVIE INC. 2008-08-14 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 (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-20080194538-A1 Method for Pain Treatment HRH4, HRH3, HRH2 HTR3A 86/4885ADRA2C 171/4885KDM4E 1427/4885

“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.