SCHEMBL4053254

SCHEMBL4053254

COCCn1cc(C2CCNCC2)c2cccnc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.47
CNR2 P34972 1/20 0.47
GSK3B P49841 4/20 0.44
REN P00797 3/20 0.44
OPRM1 P35372 1/20 0.43
OPRL1 P41146 1/20 0.43
HTR1A P08908 7/20 0.43
SLC6A2 P23975 7/20 0.43
SLC6A4 P31645 7/20 0.43
SLC6A3 Q01959 4/20 0.43
CCNB2 O95067 1/20 0.40
PRKCB P05771 1/20 0.40
CDK1 P06493 1/20 0.40
CCNB1 P14635 1/20 0.40
CCNA2 P20248 1/20 0.40
CDK2 P24941 1/20 0.40
RPS6KA3 P51812 1/20 0.40
CCNA1 P78396 1/20 0.40
CCNB3 Q8WWL7 1/20 0.40
POLB P06746 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
SCHEMBL4061658 0.89 HTR2A (0.46) OPRM1OPRL1
SCHEMBL24567395 0.87 OPRM1 (0.45) CNR1CNR2GSK3BOPRM1OPRL1
SCHEMBL4060744 0.85 OPRM1 (0.44) CNR1CNR2GSK3BRENOPRM1
SCHEMBL4056205 0.81 HTR6 (0.48) CNR1CNR2RENHTR6
SCHEMBL4058960 0.81 OPRL1 (0.41) OPRM1OPRL1HTR1ASLC6A2SLC6A4
SCHEMBL12889424 0.80 HTR1A (0.38) RENOPRM1OPRL1HTR1ASLC6A2
SCHEMBL24331199 0.80 OPRM1 (0.54) OPRM1OPRL1HTR1ASLC6A2SLC6A4
SCHEMBL4053376 0.79 CNR1 (0.48) CNR1CNR2OPRM1OPRL1
Hydrochloric Acid SCHEMBL26911654 0.79 OPRM1 (0.53) OPRM1OPRL1HTR1ASLC6A2SLC6A4
SCHEMBL4052399 0.78 CFTR (0.42) CNR1CNR2OPRM1OPRL1HTR1A

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 CNR1 99/4885CNR2 88/4885GSK3B 4611/4885

“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.