SCHEMBL4055720

SCHEMBL4055720

c1coc(Cn2cc(C3CCNCC3)c3cccnc32)c1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HRH2 P25021 3/20 0.43
OPRM1 P35372 1/20 0.38
OPRL1 P41146 1/20 0.38
STAT3 P40763 1/20 0.38
ALDH1A1 P00352 4/20 0.37
CNR1 P21554 4/20 0.36
CNR2 P34972 4/20 0.36
HTR1A P08908 1/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36
POLB P06746 1/20 0.36
KDM4E B2RXH2 1/20 0.36
TSHR P16473 1/20 0.35
TP53 P04637 1/20 0.35
JAK2 O60674 1/20 0.35
JAK1 P23458 1/20 0.35
TYK2 P29597 1/20 0.35
JAK3 P52333 1/20 0.35

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
SCHEMBL5355591 0.81 HRH2 (0.56) HRH2STAT3ALDH1A1POLBKDM4E
SCHEMBL4058326 0.81 HTR2A (0.43) HRH2OPRM1OPRL1CNR1CNR2
SCHEMBL4052399 0.81 CFTR (0.42) HRH2OPRM1OPRL1ALDH1A1CNR1
SCHEMBL4050219 0.80 HRH2 (0.42) HRH2OPRM1OPRL1CNR1CNR2
SCHEMBL4058960 0.79 OPRL1 (0.41) OPRM1OPRL1HTR1ASLC6A2SLC6A4
SCHEMBL4058699 0.79 CNR1 (0.55) CNR1CNR2HTR1ASLC6A2SLC6A4
SCHEMBL4051642 0.78 HTR6 (0.49) HRH2OPRM1OPRL1CNR1CNR2
SCHEMBL24567395 0.78 OPRM1 (0.45) OPRM1OPRL1CNR1CNR2HTR1A
SCHEMBL5749127 0.78 CNR1 (0.40) OPRM1OPRL1CNR1CNR2HTR1A
SCHEMBL4059378 0.77 HRH2 (0.55) HRH2OPRM1OPRL1

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 HRH2 1/4885OPRM1 233/4885OPRL1 188/4885

“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.