SCHEMBL6511331

SCHEMBL6511331

COc1ccc(N(C(C)=O)C(C)C)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 1/20 0.52
ALDH1A1 P00352 2/20 0.45
HTT P42858 1/20 0.45
USP2 O75604 1/20 0.44
CES2 O00748 2/20 0.44
CES1 P23141 2/20 0.44
MAPT P10636 2/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
TP53 P04637 1/20 0.44
ESR2 Q92731 1/20 0.44
NOX1 Q9Y5S8 1/20 0.44
TAS1R3 Q7RTX0 1/20 0.43
TAS1R1 Q7RTX1 1/20 0.43
TAS1R2 Q8TE23 1/20 0.43
KEAP1 Q14145 1/20 0.43
NFE2L2 Q16236 1/20 0.43
LMNA P02545 2/20 0.43
MTNR1A P48039 2/20 0.42

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
SCHEMBL10514459 0.84 TRPM8 (0.46) TRPM8ALDH1A1HTTCES2CES1
SCHEMBL10514467 0.84 TRPM8 (0.46) TRPM8ALDH1A1HTTCES2CES1
SCHEMBL3469925 0.84 TRPM8 (0.51) TRPM8ALDH1A1USP2CES2CES1
SCHEMBL21026944 0.84 ALDH1A1 (0.54) TRPM8ALDH1A1HTTUSP2CES2
SCHEMBL10537588 0.81 TRPM8 (0.49) TRPM8ALDH1A1HTTUSP2CES2
SCHEMBL11925042 0.81 LMNA (0.51) ALDH1A1MAPTNPC1SMN1; SMN2TAS1R3
SCHEMBL25316112 0.80 ALDH1A1 (0.66) TRPM8ALDH1A1HTTUSP2MAPT
SCHEMBL8812902 0.80 MTNR1A (0.51) CES2CES1NPC1RAB9AMTNR1A
SCHEMBL4868746 0.80 TRPM8 (0.48) TRPM8ALDH1A1USP2MAPTNPC1
SCHEMBL4869949 0.80 GSK3B (0.49) TRPM8ALDH1A1USP2CES2CES1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11078164-B1 PTEN binding compounds, formulations, and uses thereof UNIVERSITY OF SOUTH FLORIDA (US) 2021-08-03 US disclosed
US-10669241-B2 PTEN binding compounds, formulations, and uses thereof UNIVERSITY OF SOUTH FLORIDA (US) 2020-06-02 US disclosed
US-20190161450-A1 PTEN BINDING COMPOUNDS, FORMULATIONS, AND USES THEREOF UNIVERSITY OF SOUTH FLORIDA (US) 2019-05-30 US disclosed
WO-2005118573-A1 NOVEL DIAZEPINE COMPOUNDS AS LIGANDS OF THE MELANOCORTIN 1 AND/OR 4 RECEPTORS SMITHKLINE BEECHAM CORPORATION (US) 2005-12-15 WO disclosed
EP-0755394-A1 A METHOD OF INDUCING CHOLECYSTOKININ AGONIST ACTIVITY USING 1,4-BENZODIAZEPINE COMPOUNDS GLAXO WELLCOME INC. (US) 1997-01-29 EP disclosed
EP-0755384-A1 CCK OR GASTRIN MODULATING 1,5 BENZODIAZEPINES DERIVATIVES GLAXO WELLCOME INC. (US) 1997-01-29 EP disclosed
WO-1995028399-A1 A METHOD OF INDUCING CHOLECYSTOKININ AGONIST ACTIVITY USING 1,4-BENZODIAZEPINE COMPOUNDS GLAXO WELLCOME INC. (US) 1995-10-26 WO disclosed
WO-1995028391-A1 CCK OR GASTRIN MODULATING 1,5 BENZODIAZEPINES DERIVATIVES GLAXO WELLCOME INC. (US) 1995-10-26 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 (3 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-10669241-B2 PTEN binding compounds, formulations, and uses thereof PTEN, EYA2, PIK3CA TRPM8 3764/4885ALDH1A1 4148/4885HTT 1284/4885
US-11078164-B1 PTEN binding compounds, formulations, and uses thereof PTEN, EYA2, PIK3CA TRPM8 3764/4885ALDH1A1 4148/4885HTT 1284/4885
US-20190161450-A1 PTEN BINDING COMPOUNDS, FORMULATIONS, AND USES THEREOF PTEN, EYA2, PIK3CA TRPM8 3764/4885ALDH1A1 4148/4885HTT 1284/4885

“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.