SCHEMBL13416620

SCHEMBL13416620

CC(C)[C@@H]1CCCN1Cc1ccc(Cl)cc1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 1/20 0.43
SPHK2 Q9NRA0 1/20 0.42
SPHK1 Q9NYA1 1/20 0.42
HRH3 Q9Y5N1 3/20 0.42
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
GAA P10253 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
SCHEMBL14472941 0.86 ALDH1A1 (0.59) ALDH1A1KDM4ESPHK1HRH3
SCHEMBL13416615 0.85
SCHEMBL15723668 0.85
SCHEMBL13416618 0.84 KDM4E (0.49) ALDH1A1KDM4ESPHK2SPHK1GAA
SCHEMBL24682861 0.83 HRH3 (0.50) ALDH1A1KDM4EHRH3
SCHEMBL16480464 0.78 ALDH1A1 (0.66) ALDH1A1KDM4EHRH3
SCHEMBL9893059 0.75 MAPK1 (0.56) ALDH1A1KDM4ESPHK2SPHK1
SCHEMBL4839388 0.75 SPHK2 (0.52) ALDH1A1KDM4ESPHK2SPHK1CYP1A2
SCHEMBL4839403 0.75 SPHK2 (0.52) ALDH1A1KDM4ESPHK2SPHK1CYP1A2
SCHEMBL4848314 0.75 SPHK2 (0.52) ALDH1A1KDM4ESPHK2SPHK1CYP1A2

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-20100076015-A1 Aminopyridine Derivatives VANTIA LIMITED (GB) 2010-03-25 US disclosed
US-20100076015-A1 Aminopyridine Derivatives VANTIA LIMITED (GB) 2010-03-25 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-20100076015-A1 Aminopyridine Derivatives CHRM1, ARG1, ARG2 ALDH1A1 147/4885KDM4E 1970/4885SPHK2 2258/4885

“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.