SCHEMBL4059915

SCHEMBL4059915

CCOC(=O)N1CCC(c2c[nH]c3ncccc23)CC1

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 9/20 0.62
CCR2 P41597 4/20 0.57
OPRL1 P41146 3/20 0.56
OPRM1 P35372 3/20 0.56
OPRK1 P41145 2/20 0.56
NOS2 P35228 1/20 0.53
CHRM4 P08173 1/20 0.52
MEN1 O00255 1/20 0.51
ALDH1A1 P00352 1/20 0.51
KMT2A Q03164 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51

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
SCHEMBL2267177 0.86 HSD11B1 (0.63) HSD11B1OPRL1OPRM1OPRK1
SCHEMBL16801704 0.85 KDM4E (0.65) HSD11B1CCR2OPRL1OPRM1OPRK1
SCHEMBL6158491 0.83 HSD11B1 (0.66) HSD11B1CCR2OPRL1OPRM1OPRK1
SCHEMBL4055416 0.81 ALDH1A1 (0.71) HSD11B1CCR2ALDH1A1KMT2A
SCHEMBL13090626 0.81 HSD11B1 (0.72) HSD11B1CCR2OPRL1OPRM1OPRK1
SCHEMBL4056419 0.80 HSD11B1 (0.54) HSD11B1CCR2NOS2CHRM4MEN1
SCHEMBL20780007 0.80 HTT (0.55) HSD11B1CCR2OPRL1OPRM1OPRK1
SCHEMBL12509445 0.80 HSD11B1 (0.69) HSD11B1OPRL1OPRM1OPRK1
SCHEMBL23722557 0.80 HSD11B1 (0.59) HSD11B1CCR2OPRL1OPRM1OPRK1
SCHEMBL14280711 0.79 OPRL1 (0.64) HSD11B1CCR2OPRL1OPRM1OPRK1

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 HSD11B1 2048/4885CCR2 2521/4885OPRL1 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.