SCHEMBL9989395

SCHEMBL9989395

CN1C(=O)[C@H](N(C(=O)O)C(C)(C)C)CNc2cc(Cl)ccc21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 2/20 0.36
HTR2B P41595 1/20 0.36
OPRK1 P41145 3/20 0.35
LMNA P02545 1/20 0.35
PDE3A Q14432 1/20 0.35
RIPK1 Q13546 1/20 0.34
PYGL P06737 4/20 0.33
PYGM P11217 4/20 0.33
NR3C1 P04150 1/20 0.33
NR3C2 P08235 1/20 0.33
AVPR1A P37288 4/20 0.32
CHRM2 P08172 1/20 0.32
ADRA2A P08913 1/20 0.32
CA12 O43570 1/20 0.32
CA2 P00918 1/20 0.32
CA4 P22748 1/20 0.32
CA7 P43166 1/20 0.32
CA9 Q16790 1/20 0.32
P2RX7 Q99572 1/20 0.32
GABRP O00591 1/20 0.32

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
SCHEMBL9990245 0.91 PDE4D (0.34) PDE4DHTR2BOPRK1LMNAPDE3A
SCHEMBL2236994 0.84 BRPF1 (0.43) RIPK1PYGLPYGMBRD4
SCHEMBL1740686 0.84 BRPF1 (0.43) RIPK1PYGLPYGMBRD4
SCHEMBL2236989 0.84 BRPF1 (0.43) RIPK1PYGLPYGMBRD4
SCHEMBL9990618 0.80 PYGL (0.33) RIPK1PYGLPYGMP2RX7
SCHEMBL17312378 0.70
SCHEMBL17312376 0.70
SCHEMBL9990198 0.70 P2RX7 (0.30) PDE4DHTR2BPYGLPYGMP2RX7
SCHEMBL17312591 0.68
SCHEMBL17312593 0.68

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 275/4885OPRK1 448/4885

“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.