SCHEMBL4060778

SCHEMBL4060778

CCOCCn1cc(C2CCNCC2)c2ncccc21

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.43
HTR2C P28335 3/20 0.43
HTR2B P41595 3/20 0.43
HRH2 P25021 13/20 0.42
PDE10A Q9Y233 1/20 0.39
HTR1A P08908 3/20 0.39
SLC6A2 P23975 3/20 0.39
SLC6A4 P31645 3/20 0.39
SLC6A3 Q01959 2/20 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
SCHEMBL4061658 0.82 HTR2A (0.46) HTR2AHTR2CHTR2BHRH2
SCHEMBL4058347 0.81 HRH2 (0.58) HTR2AHTR2CHTR2BHRH2
SCHEMBL5748447 0.78 HRH2 (0.43) HTR2AHTR2CHTR2BHRH2
SCHEMBL13768719 0.73 HRH2 (0.58) HTR2AHTR2CHTR2BHRH2SLC6A4
SCHEMBL4053254 0.70 CNR1 (0.47) HTR1ASLC6A2SLC6A4SLC6A3
SCHEMBL4056351 0.70 NOS2 (0.46) HTR2AHTR2CHTR2BHRH2
SCHEMBL4056205 0.69 HTR6 (0.48) HTR2AHTR2CHTR2BHRH2
SCHEMBL24567395 0.68 OPRM1 (0.45) HTR1ASLC6A2SLC6A4SLC6A3
SCHEMBL6159305 0.67 HRH2 (0.48) HTR2AHTR2CHTR2BHRH2
SCHEMBL991263 0.67 HRH1 (0.73) PDE10A

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.