SCHEMBL4060713

SCHEMBL4060713

Clc1ccc(Cn2cc(C3CCNCC3)c3ccncc32)s1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH2 P25021 4/20 0.44
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
HTR2B P41595 1/20 0.41
KCNH2 Q12809 4/20 0.39
F2 P00734 3/20 0.35
HTR6 P50406 1/20 0.35
DYRK1A Q13627 4/20 0.34
SMO Q99835 1/20 0.34
KLKB1 P03952 1/20 0.34
NFATC1 O95644 2/20 0.33
GSK3B P49841 2/20 0.33
JAK2 O60674 1/20 0.33
JAK1 P23458 1/20 0.33
TYK2 P29597 1/20 0.33
JAK3 P52333 1/20 0.33

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
SCHEMBL5344675 0.84 HRH2 (0.58) HRH2HTR2AHTR2CHTR2BHTR6
SCHEMBL6159681 0.83 HRH2 (0.53) HRH2HTR2AHTR2CHTR2BKCNH2
SCHEMBL5347654 0.81 HRH2 (0.57) HRH2HTR2AHTR2CHTR2BKCNH2
SCHEMBL4055204 0.79 HTR2A (0.48) HRH2HTR2AHTR2CHTR2B
SCHEMBL4051642 0.79 HTR6 (0.49) HRH2HTR2AHTR2CHTR2BHTR6
SCHEMBL4052722 0.77 HTR2A (0.44) HRH2HTR2AHTR2CHTR2BKCNH2
SCHEMBL5750268 0.77 HTR2A (0.46) HRH2HTR2AHTR2CHTR2BJAK2
SCHEMBL4054404 0.77 HRH2 (0.58) HRH2HTR2AHTR2CHTR2BHTR6
SCHEMBL5344681 0.76 HTR2C (0.48) HRH2HTR2AHTR2CHTR2BKCNH2
SCHEMBL5749097 0.74 CNR2 (0.41) HRH2HTR2AHTR2CHTR2BKCNH2

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 1/4885HTR2A 83/4885HTR2C 190/4885

“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.