SCHEMBL4055677

SCHEMBL4055677

COc1ccc(CN2CCC(c3cn(Cc4ccc(Cl)s4)c4cccnc34)CC2)cc1C(=O)O

nearest known ligand 0.78

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 4/20 0.78
HTR2C P28335 4/20 0.78
HTR2B P41595 4/20 0.78
HRH2 P25021 10/20 0.71
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ATM Q13315 1/20 0.40

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
SCHEMBL4055530 0.92 HTR2A (0.66) HTR2AHTR2CHTR2BHRH2
SCHEMBL4052114 0.88 HTR2A (0.78) HTR2AHTR2CHTR2BHRH2
SCHEMBL4053933 0.85 HTR2A (0.81) HTR2AHTR2CHTR2BHRH2
SCHEMBL5349823 0.84 HTR2A (0.83) HTR2AHTR2CHTR2BHRH2
SCHEMBL5351387 0.83 HRH2 (1.00) HTR2AHTR2CHTR2BHRH2
SCHEMBL7192957 0.83 HTR2A (0.79) HTR2AHTR2CHTR2BHRH2
SCHEMBL4054716 0.80 HTR2A (0.66) HTR2AHTR2CHTR2BHRH2
SCHEMBL4052268 0.77 HTR2A (0.68) HTR2AHTR2CHTR2BHRH2
SCHEMBL6794831 0.77 HRH2 (0.72) HTR2AHTR2CHTR2BHRH2
SCHEMBL5348386 0.77 HRH2 (0.77) HTR2AHTR2CHTR2BHRH2

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 2 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
US-20050176751-A1 Azaindolylpiperidine derivatives as antihistaminic and antiallergic agents LABORATORIOS ALMIRALL, S.A. (ES) 2005-08-11 US 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 HTR2A 83/4885HTR2C 190/4885HTR2B 102/4885

“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.