SCHEMBL16252586

SCHEMBL16252586

CC(C)C(=O)NC1CN(C(=O)N2CCS(=O)(=O)CC2)C1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
F2R P25116 1/20 0.39
KDM5A P29375 2/20 0.38
POLB P06746 1/20 0.35
RAB9A P51151 1/20 0.35
CNR2 P34972 3/20 0.33
CYP2D6 P10635 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
ALDH1A1 P00352 1/20 0.32
MTNR1A P48039 2/20 0.32
MTNR1B P49286 2/20 0.32
KDM4E B2RXH2 1/20 0.31

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
SCHEMBL16254592 0.83 F2R (0.41) F2RKDM5ARAB9ACNR2CYP2D6
SCHEMBL16252578 0.80 MAPT (0.46) F2RKDM5APOLB
SCHEMBL15161372 0.75 CA1 (0.48) F2RALDH1A1
SCHEMBL10208258 0.75 CHRNB2 (0.42) KDM5AMTNR1AMTNR1B
SCHEMBL16252583 0.74 KDM5A (0.39) KDM5AMTNR1AMTNR1B
SCHEMBL16252587 0.74 KDM5A (0.39) KDM5AMTNR1AMTNR1B
SCHEMBL16252580 0.74 KDM5A (0.39) KDM5AMTNR1AMTNR1B
SCHEMBL17453343 0.73 POLB (0.49) POLBALDH1A1MTNR1AMTNR1BKDM4E
SCHEMBL22916946 0.73 CHRNB2 (0.50) KDM5AMTNR1AMTNR1B
SCHEMBL10210690 0.73 KDM4E (0.39) KDM5AMTNR1AMTNR1BKDM4E

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-9586956-B2 Isoquinoline and naphthyridine derivatives GENENTECH, INC. (US) 2017-03-07 US disclosed
US-20140343036-A1 ISOQUINOLINE AND NAPHTHYRIDINE DERIVATIVES GENENTECH, INC. (US) 2014-11-20 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-20140343036-A1 ISOQUINOLINE AND NAPHTHYRIDINE DERIVATIVES NQO1, NDUFC2, NDUFV2 F2R 3193/4885KDM5A 2759/4885POLB 418/4885

“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.