SCHEMBL18839711

SCHEMBL18839711

C[C](C(N)=O)c1ccc(Cl)cc1F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 3/20 0.46
CYP11B1 P15538 2/20 0.46
GABRA1 P14867 3/20 0.45
GABRG2 P18507 3/20 0.45
GABRB3 P28472 3/20 0.45
GABRB2 P47870 2/20 0.45
MAOB P27338 2/20 0.42
MAOA P21397 1/20 0.42
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
KDM4E B2RXH2 2/20 0.41
ABL1 P00519 1/20 0.41
ALDH1A1 P00352 1/20 0.41
GLA P06280 1/20 0.41
GAA P10253 1/20 0.41
DGAT1 O75907 1/20 0.41
TSHR P16473 1/20 0.40
CASP1 P29466 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CXCL12 P48061 1/20 0.40

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
SCHEMBL325429 0.81 MAOB (0.58) CYP11B2CYP11B1MAOBMAOACES2
SCHEMBL29392929 0.81 MAOB (0.58) CYP11B2CYP11B1MAOBMAOACES2
SCHEMBL911253 0.81 DGAT1 (0.60) CYP11B2CYP11B1CES2CES1KDM4E
SCHEMBL17645709 0.79 DGAT1 (0.68) CES2CES1KDM4EALDH1A1GLA
SCHEMBL28069620 0.77 CES2 (0.46) CYP11B2CYP11B1CES2CES1KDM4E
SCHEMBL17514843 0.77 KMT2A (0.44) CYP11B2CYP11B1GABRA1GABRG2GABRB3
SCHEMBL27442149 0.77 SMN1; SMN2 (0.48) CYP11B2CYP11B1CES2CES1KDM4E
SCHEMBL7840274 0.76 CES2 (0.50) CYP11B2CYP11B1CES2CES1ALDH1A1
SCHEMBL392840 0.75 SMN1; SMN2 (0.63) CYP11B2KDM4EALDH1A1TSHRCASP1
SCHEMBL645757 0.75 ALDH1A1 (0.54) CYP11B2CYP11B1MAOBCES2CES1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11008323-B2 Substituted tricyclic 1,4-benzodiazepinone derivatives as allosteric modulators of group II metabotropic glutamate receptors DOMAIN THERAPEUTICS (FR) 2021-05-18 US disclosed
US-20180346468-A1 SUBSTITUTED TRICYCLIC 1,4-BENZODIAZEPINONE DERIVATIVES AS ALLOSTERIC MODULATORS OF GROUP II METABOTROPIC GLUTAMATE RECEPTORS DOMAIN THERAPEUTICS (FR) 2018-12-06 US disclosed
EP-3374360-A1 SUBSTITUTED TRICYCLIC 1,4-BENZODIAZEPINONE DERIVATIVES AS ALLOSTERIC MODULATORS OF GROUP II METABOTROPIC GLUTAMATE RECEPTORS Mavalon Therapeutics Limited (GB) 2018-09-19 EP disclosed
WO-2017081483-A1 SUBSTITUTED TRICYCLIC 1,4-BENZODIAZEPINONE DERIVATIVES AS ALLOSTERIC MODULATORS OF GROUP II METABOTROPIC GLUTAMATE RECEPTORS MAVALON THERAPEUTICS LIMITED (GB) 2017-05-18 WO 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 (2 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-20180346468-A1 SUBSTITUTED TRICYCLIC 1,4-BENZODIAZEPINONE DERIVATIVES AS ALLOSTERIC MODULATORS OF GROUP II METABOTROPIC GLUTAMATE RECEPTORS GRM3, GRM1, GRM2 CYP11B2 854/4885CYP11B1 669/4885GABRA1 38/4885
US-11008323-B2 Substituted tricyclic 1,4-benzodiazepinone derivatives as allosteric modulators of group II metabotropic glutamate receptors GRM3, GRM1, GRM2 CYP11B2 854/4885CYP11B1 669/4885GABRA1 38/4885

“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.