SCHEMBL10191097

SCHEMBL10191097

CN1CCC(C)(NC(=O)OCc2ccccc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSL P07711 1/20 0.48
CTSB P07858 1/20 0.48
CTSS P25774 1/20 0.48
KEAP1 Q14145 1/20 0.47
NFE2L2 Q16236 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
OPRM1 P35372 2/20 0.45
SLC6A4 P31645 2/20 0.45
SLC22A1 O15245 1/20 0.45
ADRA1A P35348 1/20 0.45
OPRD1 P41143 1/20 0.45
OPRK1 P41145 1/20 0.45
KCNH2 Q12809 1/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
SCN1A P35498 1/20 0.44
SCN2A Q99250 1/20 0.44
SCN3A Q9NY46 1/20 0.44
ALDH1A1 P00352 1/20 0.44
ITGB3 P05106 1/20 0.43

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
SCHEMBL14743992 0.89 CTSL (0.54) CTSLCTSBCTSSSMN1; SMN2NPC1
SCHEMBL3331774 0.88 CTSL (0.47) CTSLCTSBCTSSSMN1; SMN2KCNH2
SCHEMBL606983 0.87 CTSB (0.46) CTSLCTSBCTSSSMN1; SMN2KCNH2
SCHEMBL14417792 0.87 CTSL (0.46) CTSLCTSBCTSSSMN1; SMN2NPC1
SCHEMBL28996339 0.87 CYP2D6 (0.50) CTSLCTSBCTSSSMN1; SMN2NPC1
SCHEMBL18793707 0.86 CTSB (0.55) CTSLCTSBCTSSSMN1; SMN2NPC1
SCHEMBL4546436 0.85 CTSL (0.45) CTSLCTSBCTSSSMN1; SMN2NPC1
SCHEMBL14417790 0.85 POLB (0.51) CTSLCTSBCTSSSMN1; SMN2NPC1
SCHEMBL14417791 0.85 CYP2D6 (0.47) CTSLCTSBCTSSALDH1A1
SCHEMBL14417796 0.85 CTSL (0.45) CTSLCTSBCTSSSMN1; SMN2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107108613-B Bromodomain inhibitors and uses thereof 基因泰克公司 2020-02-25 CN disclosed
US-20170340604-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2017-11-30 US disclosed
US-20170340604-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2017-11-30 US disclosed
WO-2016077375-A1 BROMODOMAIN INHIBITORS AND USES THEREOF GENENTECH, INC. (US) 2016-05-19 WO disclosed
US-20120040897-A1 NOVEL DERIVATIVES OF ACYL CYANOPYRROLIDINES SUN PHARMA ADVANCED RESEARCH COMPANY LTD. (IN) 2012-02-16 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 (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-20120040897-A1 NOVEL DERIVATIVES OF ACYL CYANOPYRROLIDINES NR1D2, STARD10, NR1D1 CTSL 2497/4885CTSB 4379/4885CTSS 3303/4885
US-20170340604-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF BRD4, BRDT, BRD3 CTSL 3957/4885CTSB 1848/4885CTSS 2525/4885

“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.