SCHEMBL4052399

SCHEMBL4052399

c1ccc(Cn2cc(C3CCNCC3)c3cccnc32)nc1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CFTR P13569 1/20 0.42
HTR1A P08908 5/20 0.41
SLC6A2 P23975 5/20 0.41
SLC6A4 P31645 5/20 0.41
SLC6A3 Q01959 3/20 0.41
CNR1 P21554 2/20 0.40
CNR2 P34972 2/20 0.40
OPRM1 P35372 1/20 0.40
OPRL1 P41146 1/20 0.40
KDM4E B2RXH2 2/20 0.39
HRH2 P25021 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.38
HTR6 P50406 1/20 0.38
GABRA1 P14867 1/20 0.38
GABRB2 P47870 1/20 0.38
HTR2C P28335 2/20 0.37
ADRB2 P07550 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HSD17B10 Q99714 1/20 0.37

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
SCHEMBL4058960 0.81 OPRL1 (0.41) HTR1ASLC6A2SLC6A4SLC6A3OPRM1
SCHEMBL4058699 0.81 CNR1 (0.55) HTR1ASLC6A2SLC6A4SLC6A3CNR1
SCHEMBL24567395 0.81 OPRM1 (0.45) HTR1ASLC6A2SLC6A4SLC6A3CNR1
SCHEMBL4055720 0.81 HRH2 (0.43) HTR1ASLC6A2SLC6A4SLC6A3CNR1
SCHEMBL4050219 0.81 HRH2 (0.42) HTR1ASLC6A2SLC6A4SLC6A3CNR1
SCHEMBL5749127 0.81 CNR1 (0.40) HTR1ASLC6A2SLC6A4SLC6A3CNR1
SCHEMBL4058326 0.80 HTR2A (0.43) HTR1ASLC6A2SLC6A4SLC6A3CNR1
SCHEMBL4051642 0.79 HTR6 (0.49) HTR1ASLC6A2SLC6A4SLC6A3CNR1
SCHEMBL4060744 0.79 OPRM1 (0.44) CFTRHTR1ASLC6A2SLC6A4SLC6A3
SCHEMBL4053254 0.78 CNR1 (0.47) HTR1ASLC6A2SLC6A4SLC6A3CNR1

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 CFTR 2583/4885HTR1A 56/4885SLC6A2 1421/4885

“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.