SCHEMBL19865632

SCHEMBL19865632

CC(C)NC1CCCc2cc(C#N)ccc21

nearest known ligand 0.51

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 14/20 0.47
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL19865634 0.85 LRRK2 (0.48) LRRK2ALDH1A1LMNAL3MBTL1
SCHEMBL26160279 0.79 LRRK2 (0.43) LRRK2
SCHEMBL19862554 0.78 TAS1R3 (0.44) LMNA
SCHEMBL14072565 0.77 LRRK2 (0.46) LRRK2
SCHEMBL24995730 0.76 PDPK1 (0.53) LRRK2
SCHEMBL18435285 0.75 TAS1R3 (0.52) ALDH1A1
SCHEMBL16252290 0.75 TAS1R3 (0.52) ALDH1A1
SCHEMBL4138513 0.74 LRRK2 (0.43) LRRK2ALDH1A1LMNAL3MBTL1
SCHEMBL4517438 0.74 PGR (0.58) LRRK2ALDH1A1LMNAL3MBTL1
SCHEMBL4526621 0.74 CYP11B2 (0.49) LRRK2

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-20180044343-A1 BICYCLIC IMIDAZOLO DERIVATIVE SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2018-02-15 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-20180044343-A1 BICYCLIC IMIDAZOLO DERIVATIVE PDE3A, PDE2A, PDE5A LRRK2 2484/4885ALDH1A1 436/4885LMNA 2416/4885

“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.