SCHEMBL13337091

SCHEMBL13337091

CC(C)N1CCCCC1CCN

nearest known ligand 0.39

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.35
HTT P42858 1/20 0.31
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
SCHEMBL3977447 0.94 CHRM3 (0.33) HTTCHRM3
SCHEMBL4373179 0.86 HTT (0.38) CYP1A2HTTCHRM3
SCHEMBL4366182 0.84 CYP1A2 (0.37) CYP1A2HTTCHRM3
SCHEMBL25453177 0.82 PSEN1 (0.38) CYP1A2CHRM3
SCHEMBL18965497 0.82 PSEN1 (0.38) CYP1A2CHRM3
SCHEMBL13910201 0.82 PSEN1 (0.38) CYP1A2CHRM3
SCHEMBL22473381 0.81 PKM (0.41) CYP1A2CHRM3
SCHEMBL22388304 0.81 CYP1A2 (0.35) CYP1A2CHRM3
SCHEMBL3124831 0.81 CYP1A2 (0.35) CYP1A2CHRM3
SCHEMBL4371060 0.81 CYP1A2 (0.35) CYP1A2CHRM3

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-20100130469-A1 2, 6-NAPHTHRIDINE DERIVATIVES VAN EIS MAURICE 2010-05-27 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-20100130469-A1 2, 6-NAPHTHRIDINE DERIVATIVES PKN1, PKN2, CDK9 CYP1A2 3548/4885HTT 3898/4885CHRM3 2856/4885

“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.