Sugi Predict

Sugi Predict / Compounds / SCHEMBL21903322

SCHEMBL21903322

SCHEMBL21903322

CCOC(=O)c1nn(COCC[Si](C)(C)C)cc1-c1cc(Cl)ccc1C=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 2/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ GABRA2 P47869 6/20 0.38
▸ GABRB2 P47870 6/20 0.38
▸ MAPT P10636 2/20 0.38
▸ TARBP2 Q15633 1/20 0.38
▸ ADORA2A P29274 1/20 0.37
▸ GABRA1 P14867 1/20 0.36
▸ GABRG2 P18507 1/20 0.36
▸ GABRB3 P28472 1/20 0.36
▸ GABRA5 P31644 1/20 0.36
▸ GABRA3 P34903 1/20 0.36
▸ GABRA4 P48169 1/20 0.36
▸ GABRA6 Q16445 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ ELANE P08246 2/20 0.36
▸ ALOX15 P16050 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ TSHR P16473 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
SCHEMBL20028441 0.77 TARBP2 (0.46) NPC1RAB9AKDM4EGABRA2GABRB2
SCHEMBL26631650 0.76 DGAT1 (0.40) NPC1RAB9AKDM4EGABRA2GABRB2
SCHEMBL24537117 0.75 ALDH1A1 (0.40) NPC1RAB9AKDM4EMAPTTARBP2
SCHEMBL11025264 0.73 TEAD2 (0.42) NPC1RAB9AKDM4EMAPTALDH1A1
SCHEMBL15726277 0.73 NPC1 (0.37) NPC1RAB9AKDM4EMAPTTARBP2
SCHEMBL26964472 0.73 ADORA3 (0.41) NPC1RAB9AKDM4EMAPTADORA2A
SCHEMBL16559309 0.72 ALDH1A1 (0.40) NPC1RAB9AKDM4EMAPTTARBP2
SCHEMBL824832 0.71 NPC1 (0.36) NPC1RAB9AKDM4EGABRA2GABRB2
SCHEMBL16559313 0.71 NPC1 (0.41) NPC1RAB9AKDM4EMAPTADORA2A
SCHEMBL27179286 0.71 TEAD2 (0.41) NPC1RAB9AKDM4EGABRA2GABRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11472806-B2 Substituted heterocyclic compounds as allosteric modulators of group II metabotropic glutamate receptors DOMAIN THERAPEUTICS (FR) 2022-10-18 — — US disclosed
US-20200140438-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AS ALLOSTERIC MODULATORS OF GROUP II METABOTROPIC GLUTAMATE RECEPTORS DOMAIN THERAPEUTICS (FR) 2020-05-07 — — US disclosed
CN-110769830-A Substituted heterocyclic compounds as allosteric modulators of group II metabotropic glutamate receptors 马瓦隆治疗有限公司 2020-02-07 — — CN 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-20200140438-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AS ALLOSTERIC MODULATORS OF GROUP II METABOTROPIC GLUTAMATE RECEPTORS GRM3, GRM1, GRM2 NPC1 3194/4885RAB9A 1427/4885KDM4E 1690/4885
US-11472806-B2 Substituted heterocyclic compounds as allosteric modulators of group II metabotropic glutamate receptors GRM3, GRM1, GRM2 NPC1 3194/4885RAB9A 1427/4885KDM4E 1690/4885

“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.