SCHEMBL19862561

SCHEMBL19862561

Cc1ccc([C@H]2CCCN2C(C)C)cc1

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 3/20 0.43
CYP19A1 P11511 2/20 0.42
CHRNB2 P17787 1/20 0.41
CHRNB4 P30926 1/20 0.41
CHRNA3 P32297 1/20 0.41
CHRNA7 P36544 1/20 0.41
CHRNA4 P43681 1/20 0.41
PARP2 Q9UGN5 1/20 0.40
MAPK1 P28482 1/20 0.40
ALDH1A1 P00352 1/20 0.38
SLC18A3 Q16572 1/20 0.37

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
SCHEMBL2603327 1.00 PARP1 (0.43) PARP1CYP19A1CHRNB2CHRNB4CHRNA3
SCHEMBL24775408 0.86 PARP1 (0.43) PARP1CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL16980530 0.84 HPGD (0.50) PARP1CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL19862551 0.84 PARP1 (0.42) PARP1CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL23995525 0.84 TRPA1 (0.49) PARP1CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL19862566 0.84 PARP1 (0.42) PARP1CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL19862562 0.84 HPGD (0.50) PARP1CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL2603298 0.84 TRPA1 (0.49) PARP1CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL14213446 0.84 CHRNB2 (0.59) PARP1CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL2603280 0.84 CHRNB2 (0.59) PARP1CHRNB2CHRNB4CHRNA3CHRNA7

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-20180044343-A1 BICYCLIC IMIDAZOLO DERIVATIVE SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2018-02-15 US disclosed
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 PARP1 368/4885CYP19A1 427/4885CHRNB2 1635/4885

“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.