SCHEMBL2117666

SCHEMBL2117666

CC1(C)OB(c2ccc(N3CCC(CO)CC3)nc2)OC1(C)C

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 6/20 0.43
DGAT1 O75907 2/20 0.41
USP30 Q70CQ3 1/20 0.39
MAPT P10636 1/20 0.36
DEGS1 O15121 1/20 0.35
MAPK8 P45983 1/20 0.35
MAPK10 P53779 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
FFAR1 O14842 1/20 0.34
PDE2A O00408 1/20 0.34
PDE1B Q01064 1/20 0.34
PDE4D Q08499 1/20 0.34
LPL P06858 1/20 0.34
LIPG Q9Y5X9 1/20 0.34
LRRK2 Q5S007 1/20 0.34

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
SCHEMBL2119982 0.86 USP30 (0.41) DGAT1USP30MAPTHRH3FFAR1
SCHEMBL30376628 0.86 USP30 (0.41) DGAT1USP30MAPTHRH3FFAR1
SCHEMBL9946217 0.85 MAPT (0.51) DGAT1USP30MAPTHRH3LPL
SCHEMBL1838991 0.84 MAPK8 (0.41) PDE10ADGAT1USP30MAPK8MAPK10
SCHEMBL10325539 0.82 DGAT1 (0.46) DGAT1USP30DEGS1HRH3
SCHEMBL29378036 0.82 MAPT (0.44) DGAT1USP30MAPTLPLLIPG
SCHEMBL2068884 0.82 MAPT (0.41) DGAT1USP30MAPTLPLLIPG
SCHEMBL1484906 0.82 MAPT (0.44) DGAT1USP30MAPTLPLLIPG
SCHEMBL20839928 0.81 MCHR1 (0.38) DGAT1USP30MAPT
SCHEMBL30609386 0.81 USP30 (0.42) PDE10ADGAT1USP30MAPTHRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8604023-B2 1,4-benzodiazepinone compounds and their use in treating cancer THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2013-12-10 US disclosed
US-20120094982-A1 1,4-BENZODIAZEPINONE COMPOUNDS AND THEIR USE IN TREATING CANCER THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2012-04-19 US disclosed
US-20120094982-A1 1,4-BENZODIAZEPINONE COMPOUNDS AND THEIR USE IN TREATING CANCER THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2012-04-19 US disclosed
US-20120094982-A1 1,4-BENZODIAZEPINONE COMPOUNDS AND THEIR USE IN TREATING CANCER THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2012-04-19 US disclosed
WO-2010121164-A2 1,4-BENZODIAZEPINONE COMPOUNDS AND THEIR USE IN TREATING CANCER THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2010-10-21 WO disclosed
WO-2010121164-A2 1,4-BENZODIAZEPINONE COMPOUNDS AND THEIR USE IN TREATING CANCER THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2010-10-21 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 (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-20120094982-A1 1,4-BENZODIAZEPINONE COMPOUNDS AND THEIR USE IN TREATING CANCER HTR4, HTR1A, HTR3B PDE10A 2146/4885DGAT1 3980/4885USP30 4110/4885

“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.