SCHEMBL5497752

SCHEMBL5497752

[CH2]CC(CCC1CCNCC1)C1CCNCC1

nearest known ligand 0.31

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.31
CPN1 P15169 1/20 0.31
CPB2 Q96IY4 1/20 0.31
CHRM1 P11229 1/20 0.30
CHRM3 P20309 1/20 0.30

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
SCHEMBL4870028 0.87 HRH3 (0.30) HRH3CPN1CPB2
SCHEMBL31458641 0.81 GNAO1 (0.36) HRH3CPN1CPB2CHRM1CHRM3
SCHEMBL9450351 0.78 METAP1 (0.36)
SCHEMBL12822223 0.77
SCHEMBL6877804 0.76 METAP1 (0.39)
SCHEMBL31458643 0.72 GNAO1 (0.34) HRH3CPN1CPB2CHRM1CHRM3
SCHEMBL11302107 0.72 DPP4 (0.41) HRH3CPN1CPB2CHRM1CHRM3
SCHEMBL357186 0.69
SCHEMBL60981 0.69
SCHEMBL104444 0.69 GNAO1 (0.37) HRH3CPN1CPB2CHRM1CHRM3

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-7173136-B2 3-Cyano-quinoline derivatives ASTRAZENECA AB (SE) 2007-02-06 US disclosed
US-20050282856-A1 3-Cyano-quinoline derivatives ASTRAZENECA AB (SE) 2005-12-22 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-20050282856-A1 3-Cyano-quinoline derivatives MKI67, CCNA1, CCNT1 HRH3 961/4885CPN1 227/4885CPB2 1555/4885

“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.