SCHEMBL9990245

SCHEMBL9990245

CN1C(=O)[C@H](N(C(=O)O)C(C)(C)C)CNc2ccc(Cl)cc21

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 2/20 0.34
HTR2B P41595 1/20 0.34
RIPK1 Q13546 2/20 0.34
PYGL P06737 5/20 0.33
PYGM P11217 5/20 0.33
OPRK1 P41145 2/20 0.33
LMNA P02545 1/20 0.33
PDE3A Q14432 1/20 0.33
HTR2C P28335 1/20 0.32
AVPR1A P37288 1/20 0.32
P2RX7 Q99572 2/20 0.32
ROCK1 Q13464 1/20 0.31
ATM Q13315 1/20 0.31
CHRM1 P11229 1/20 0.31
ALOX15 P16050 1/20 0.31
HSD17B10 Q99714 1/20 0.31
TP53 P04637 1/20 0.31
MDM2 Q00987 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
SCHEMBL9989395 0.91 PDE4D (0.36) PDE4DHTR2BRIPK1PYGLPYGM
SCHEMBL9990618 0.87 PYGL (0.33) RIPK1PYGLPYGMP2RX7TP53
SCHEMBL1740686 0.84 BRPF1 (0.43) RIPK1PYGLPYGM
SCHEMBL2236989 0.84 BRPF1 (0.43) RIPK1PYGLPYGM
SCHEMBL2236994 0.84 BRPF1 (0.43) RIPK1PYGLPYGM
SCHEMBL17312378 0.70
SCHEMBL17312376 0.70
SCHEMBL17312591 0.68
SCHEMBL17312593 0.68
SCHEMBL2235808 0.68 RIPK1 (0.39) RIPK1

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-20110319396-A1 BENZODIAZEPIN-2-ON DERIVATIVES MSD K.K. (JP) 2011-12-29 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-20110319396-A1 BENZODIAZEPIN-2-ON DERIVATIVES DGAT1, DGAT2, GRIN1 PDE4D 2556/4885HTR2B 275/4885RIPK1 3797/4885

“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.