SCHEMBL6159542

SCHEMBL6159542

O=C(O)N1CCC(c2cn(Cc3ccc(Cl)s3)c3ncccc23)CC1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH2 P25021 6/20 0.53
HTR2A P28223 1/20 0.47
HTR2C P28335 1/20 0.47
HTR2B P41595 1/20 0.47
ENPP2 Q13822 1/20 0.43
CFD P00746 1/20 0.41
F10 P00742 1/20 0.41
CNR1 P21554 4/20 0.40
CNR2 P34972 4/20 0.40
HTR6 P50406 2/20 0.40
OPRM1 P35372 1/20 0.40
OPRL1 P41146 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
SCHEMBL4053020 0.87 HRH2 (0.48) HRH2HTR2AHTR2CHTR2BENPP2
SCHEMBL4051642 0.83 HTR6 (0.49) HRH2HTR2AHTR2CHTR2BCFD
SCHEMBL4062248 0.83 HRH2 (0.77) HRH2HTR2AHTR2CHTR2BCNR1
SCHEMBL5747120 0.82 HRH2 (0.47) HRH2HTR2AHTR2CHTR2BENPP2
SCHEMBL4055903 0.81 HRH2 (0.81) HRH2HTR2AHTR2CHTR2B
SCHEMBL4056510 0.81 HTR2A (0.61) HRH2HTR2AHTR2CHTR2B
SCHEMBL6159681 0.81 HRH2 (0.53) HRH2HTR2AHTR2CHTR2BF10
SCHEMBL4055505 0.80 HRH2 (0.68) HRH2HTR2AHTR2CHTR2B
SCHEMBL4058826 0.80 HRH2 (0.56) HRH2HTR2AHTR2CHTR2B
SCHEMBL4061958 0.79 HRH2 (0.63) HRH2HTR2AHTR2CHTR2B

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 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.