SCHEMBL4053376

SCHEMBL4053376

CCOC(=O)N1CCC(c2cn(CCOC)c3ncccc23)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.48
CNR2 P34972 1/20 0.48
CHRM4 P08173 2/20 0.47
ALDH1A1 P00352 3/20 0.46
KMT2A Q03164 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
MEN1 O00255 1/20 0.46
CHRM2 P08172 1/20 0.46
NOS2 P35228 1/20 0.45
KDM4E B2RXH2 3/20 0.45
HSD17B10 Q99714 2/20 0.45
OPRM1 P35372 1/20 0.44
OPRL1 P41146 1/20 0.44
GLA P06280 1/20 0.44
GAA P10253 1/20 0.44
HPGD P15428 1/20 0.44
FAAH O00519 1/20 0.43
MGLL Q99685 1/20 0.43
HRH2 P25021 6/20 0.43
ELANE P08246 1/20 0.42

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
SCHEMBL4051958 0.92 HRH2 (0.51) HRH2HTR2AHTR2CHTR2B
SCHEMBL4053826 0.89 HRH2 (0.48) CNR1CNR2CHRM4ALDH1A1KMT2A
SCHEMBL4056219 0.84 ELANE (0.53) CHRM4ALDH1A1KMT2AL3MBTL1MEN1
SCHEMBL4063089 0.84 HRH2 (0.55) ALDH1A1KDM4EHSD17B10GLAGAA
SCHEMBL4060754 0.81 HRH2 (0.56) CNR1CNR2HRH2HTR2AHTR2C
SCHEMBL6157923 0.81 HRH2 (0.47) HRH2HTR2AHTR2CHTR2B
SCHEMBL4054294 0.81 HTR2A (0.49) CHRM4ALDH1A1KMT2AL3MBTL1MEN1
SCHEMBL20684993 0.79 OPRM1 (0.48) CNR1CNR2ALDH1A1KDM4EOPRM1
SCHEMBL4053254 0.79 CNR1 (0.47) CNR1CNR2OPRM1OPRL1
SCHEMBL4059105 0.78 HRH2 (0.71) HRH2HTR2AHTR2CHTR2B

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 88/4885CHRM4 221/4885

“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.