SCHEMBL4064267

SCHEMBL4064267

CCOCCn1cc(C2=CCN(C(=O)OCC)CC2)c2cccnc21

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.43
JAK1 P23458 16/20 0.42
JAK2 O60674 7/20 0.42
HRH1 P35367 1/20 0.39
SLC6A15 Q9H2J7 1/20 0.39
FAAH O00519 1/20 0.39
MGLL Q99685 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
SCHEMBL5750065 0.85 ELANE (0.45) JAK1JAK2HRH1SLC6A15FAAH
SCHEMBL5749286 0.79 HTR6 (0.52) JAK1
SCHEMBL4051958 0.76 HRH2 (0.51)
SCHEMBL12874666 0.76 GRM1 (0.49)
SCHEMBL4053840 0.75 CHEK1 (0.61) JAK1JAK2
SCHEMBL4879856 0.73 HTR6 (0.56) JAK1
SCHEMBL23865984 0.73 GRM5 (0.48) JAK1JAK2HRH1SLC6A15
SCHEMBL18129748 0.70 MAP4K4 (0.58) JAK1JAK2
SCHEMBL18129721 0.69 PRKACA (0.56)
SCHEMBL4053376 0.69 CNR1 (0.48) FAAHMGLL

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 CES2 2282/4885JAK1 2773/4885JAK2 2574/4885

“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.