SCHEMBL4058326

SCHEMBL4058326

c1cnc2c(c1)c(C1CCNCC1)cn2Cc1ccoc1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 4/20 0.43
HTR2C P28335 4/20 0.43
HTR2B P41595 4/20 0.43
CNR1 P21554 4/20 0.40
CNR2 P34972 4/20 0.40
OPRM1 P35372 2/20 0.39
OPRL1 P41146 2/20 0.39
HRH2 P25021 1/20 0.39
HTR1A P08908 4/20 0.36
SLC6A2 P23975 4/20 0.36
SLC6A4 P31645 4/20 0.36
SLC6A3 Q01959 2/20 0.36
ATM Q13315 1/20 0.35
APP P05067 1/20 0.34
SNCA P37840 1/20 0.34

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
SCHEMBL4058699 0.82 CNR1 (0.55) CNR1CNR2HTR1ASLC6A2SLC6A4
SCHEMBL5343906 0.82 HTR2A (0.58) HTR2AHTR2CHTR2BHRH2
SCHEMBL4055720 0.81 HRH2 (0.43) CNR1CNR2OPRM1OPRL1HRH2
SCHEMBL5749127 0.81 CNR1 (0.40) CNR1CNR2OPRM1OPRL1HTR1A
SCHEMBL4052399 0.80 CFTR (0.42) HTR2CCNR1CNR2OPRM1OPRL1
SCHEMBL4050219 0.79 HRH2 (0.42) CNR1CNR2OPRM1OPRL1HRH2
SCHEMBL4054294 0.79 HTR2A (0.49) HTR2AHTR2CHTR2BOPRM1OPRL1
SCHEMBL4052722 0.78 HTR2A (0.44) HTR2AHTR2CHTR2BHRH2APP
SCHEMBL4058960 0.78 OPRL1 (0.41) HTR2COPRM1OPRL1HTR1ASLC6A2
SCHEMBL4054792 0.77 HTR2A (0.47) HTR2AHTR2CHTR2BOPRM1OPRL1

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-7622480-B2 Selective H1 histamine receptor antagonists; bronchial asthma, allergic rhinitis, conjunctivitis, dermatitis, urticaria and other allergic diseases; e.g. 3-(4-[1-(2-methoxyethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]piperidin-1-ylmethyl)benzoic acid LABORATORIOS ALMIRALL S.A. (ES) 2009-11-24 US disclosed
EP-1497292-B1 AZAINDOLYLPIPERIDINE DERIVATIVES AS ANTIHISTAMINIC AND ANTIALLERGIC AGENTS ALMIRALL PRODESFARMA SA (ES) 2006-06-14 EP disclosed
US-20050176751-A1 Azaindolylpiperidine derivatives as antihistaminic and antiallergic agents LABORATORIOS ALMIRALL, S.A. (ES) 2005-08-11 US disclosed
EP-1497292-A1 AZAINDOLYLPIPERIDINE DERIVATIVES AS ANTIHISTAMINIC AND ANTIALLERGIC AGENTS Almirall Prodesfarma, S.A. (ES) 2005-01-19 EP disclosed
WO-2003082867-A1 AZAINDOLYLPIPERIDINE DERIVATIVES AS ANTIHISTAMINIC AND ANTIALLERGIC AGENTS ALMIRALL PRODESFARMA S.A. (ES) 2003-10-09 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-20050176751-A1 Azaindolylpiperidine derivatives as antihistaminic and antiallergic agents HRH2, HRH1, HRH4 HTR2A 83/4885HTR2C 190/4885HTR2B 102/4885

“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.