SCHEMBL4058392

SCHEMBL4058392

Nc1ccc2[nH]cc(C3CCN(C(=O)O)CC3)c2n1

nearest known ligand 0.69

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR1F P30939 20/20 0.69
HTR1D P28221 15/20 0.69
HTR1B P28222 14/20 0.69
HTR1A P08908 11/20 0.51
HTR2A P28223 2/20 0.48
HTR2C P28335 2/20 0.48
HTR1E P28566 2/20 0.48
HTR4 Q13639 2/20 0.48
HTR6 P50406 1/20 0.48

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
SCHEMBL5751315 0.84 HTR1F (0.65) HTR1FHTR1DHTR1BHTR1AHTR2A
SCHEMBL7011824 0.83 HTR1F (0.63) HTR1FHTR1DHTR1BHTR1AHTR2A
SCHEMBL7007941 0.82 HTR1F (1.00) HTR1FHTR1DHTR1BHTR1AHTR2A
SCHEMBL7012811 0.79 HTR1F (0.74) HTR1FHTR1DHTR1BHTR1AHTR2A
SCHEMBL7011498 0.79 HTR1F (0.74) HTR1FHTR1DHTR1BHTR1AHTR2A
SCHEMBL7005021 0.77 HTR1F (0.68) HTR1FHTR1DHTR1BHTR1AHTR2A
SCHEMBL7009821 0.77 HTR1F (0.75) HTR1FHTR1DHTR1BHTR1AHTR2A
SCHEMBL1121919 0.76 HTR1D (0.68) HTR1FHTR1DHTR1BHTR1A
SCHEMBL7009425 0.75 HTR1F (0.65) HTR1FHTR1DHTR1BHTR1AHTR2A
SCHEMBL7015495 0.75 HTR1F (0.72) HTR1FHTR1DHTR1BHTR1AHTR2A

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 10 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 claimed
EP-1497292-B1 AZAINDOLYLPIPERIDINE DERIVATIVES AS ANTIHISTAMINIC AND ANTIALLERGIC AGENTS ALMIRALL PRODESFARMA SA (ES) 2006-06-14 EP claimed
US-20050176751-A1 Azaindolylpiperidine derivatives as antihistaminic and antiallergic agents LABORATORIOS ALMIRALL, S.A. (ES) 2005-08-11 US claimed
EP-1497292-A1 AZAINDOLYLPIPERIDINE DERIVATIVES AS ANTIHISTAMINIC AND ANTIALLERGIC AGENTS Almirall Prodesfarma, S.A. (ES) 2005-01-19 EP claimed
WO-2003082867-A1 AZAINDOLYLPIPERIDINE DERIVATIVES AS ANTIHISTAMINIC AND ANTIALLERGIC AGENTS ALMIRALL PRODESFARMA S.A. (ES) 2003-10-09 WO claimed
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 HTR1F 244/4885HTR1D 59/4885HTR1B 94/4885

“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.