SCHEMBL19862562

SCHEMBL19862562

CC(C)c1ccc([C@H]2CCCN2C(C)C)cc1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.50
PARP1 P09874 4/20 0.45
PARP2 Q9UGN5 1/20 0.41
CHRNB2 P17787 1/20 0.40
CHRNB4 P30926 1/20 0.40
CHRNA3 P32297 1/20 0.40
CHRNA7 P36544 1/20 0.40
CHRNA4 P43681 1/20 0.40
MCOLN3 Q8TDD5 1/20 0.36
SCN3A Q9NY46 1/20 0.36
LMNA P02545 2/20 0.36
PKM P14618 1/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL16980530 1.00 HPGD (0.50) HPGDPARP1PARP2CHRNB2CHRNB4
SCHEMBL16980403 0.95 HPGD (0.49) HPGDPARP1PARP2CHRNB2CHRNB4
SCHEMBL19862551 0.86 PARP1 (0.42) PARP1CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL19862566 0.86 PARP1 (0.42) PARP1CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL24775408 0.84 PARP1 (0.43) PARP1PARP2CHRNB2CHRNB4CHRNA3
SCHEMBL19862561 0.84 PARP1 (0.43) PARP1PARP2CHRNB2CHRNB4CHRNA3
SCHEMBL2603327 0.84 PARP1 (0.43) PARP1PARP2CHRNB2CHRNB4CHRNA3
SCHEMBL23995525 0.83 TRPA1 (0.49) PARP1CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL2603298 0.83 TRPA1 (0.49) PARP1CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL14213446 0.82 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 HPGD 117/4885PARP1 368/4885PARP2 879/4885

“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.