SCHEMBL4060744

SCHEMBL4060744

CCCCn1cc(C2CCNCC2)c2cccnc21

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.44
OPRL1 P41146 2/20 0.44
CNR2 P34972 11/20 0.43
CNR1 P21554 10/20 0.43
CFTR P13569 1/20 0.41
HRH2 P25021 1/20 0.41
PRKCB P05771 1/20 0.40
GSK3B P49841 1/20 0.40
TYK2 P29597 1/20 0.39
REN P00797 1/20 0.39
HTR1A P08908 2/20 0.39
SLC6A2 P23975 2/20 0.39
SLC6A4 P31645 2/20 0.39
SLC6A3 Q01959 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
SCHEMBL24567395 0.93 OPRM1 (0.45) OPRM1OPRL1CNR2CNR1PRKCB
SCHEMBL4061658 0.85 HTR2A (0.46) OPRM1OPRL1HRH2
SCHEMBL4053254 0.85 CNR1 (0.47) OPRM1OPRL1CNR2CNR1PRKCB
SCHEMBL4058960 0.81 OPRL1 (0.41) OPRM1OPRL1HTR1ASLC6A2SLC6A4
SCHEMBL24331199 0.81 OPRM1 (0.54) OPRM1OPRL1HTR1ASLC6A2SLC6A4
SCHEMBL4055511 0.80 HRH2 (0.53) CNR2CNR1HRH2SLC6A4
Hydrochloric Acid SCHEMBL26911654 0.80 OPRM1 (0.53) OPRM1OPRL1HTR1ASLC6A2SLC6A4
SCHEMBL4052399 0.79 CFTR (0.42) OPRM1OPRL1CNR2CNR1CFTR
SCHEMBL4053826 0.79 HRH2 (0.48) OPRM1OPRL1CNR2CNR1HRH2
SCHEMBL4058699 0.77 CNR1 (0.55) CNR2CNR1HTR1ASLC6A2SLC6A4

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 OPRM1 233/4885OPRL1 188/4885CNR2 88/4885

“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.