SCHEMBL19652122

SCHEMBL19652122

CC(C)C(=O)NC1CCN(c2ccncn2)CC1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 1/20 0.50
CNR1 P21554 1/20 0.48
CNR2 P34972 1/20 0.48
CCNC P24863 1/20 0.47
CDK8 P49336 1/20 0.47
RIPK1 Q13546 1/20 0.43
RET P07949 2/20 0.43
LMNA P02545 1/20 0.43
HRH3 Q9Y5N1 1/20 0.43
KDM4D Q6B0I6 1/20 0.42
LSS P48449 1/20 0.42
MTNR1A P48039 2/20 0.42
MTNR1B P49286 2/20 0.42
ROCK1 Q13464 1/20 0.42
NAMPT P43490 1/20 0.41
SORD Q00796 1/20 0.41
F10 P00742 1/20 0.41
AKT1 P31749 1/20 0.40
GRM1 Q13255 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
SCHEMBL19658641 0.85 CKS1B (0.53) GPR119CNR1CCNCCDK8RIPK1
SCHEMBL27920367 0.84 GPR119 (0.51) GPR119CCNCCDK8RIPK1LSS
SCHEMBL19652276 0.83 LMNA (0.59) GPR119LMNAHRH3
SCHEMBL2273767 0.79 GPR119 (0.65) GPR119CNR1CNR2CCNCCDK8
SCHEMBL27808913 0.79 PANK3 (0.51) GPR119CNR1CNR2RETHRH3
SCHEMBL803347 0.78 GPR119 (0.49) GPR119CCNCCDK8RIPK1HRH3
SCHEMBL19658601 0.77 GLS (0.52) LMNAMTNR1AMTNR1B
SCHEMBL19652277 0.77 MEN1 (0.55) GPR119LMNAMTNR1AMTNR1B
Hydrochloric Acid SCHEMBL785329 0.76 GPR119 (0.48) GPR119CCNCCDK8RIPK1HRH3
Hydrochloric Acid SCHEMBL19639676 0.76 GPR119 (0.48) GPR119CCNCCDK8RIPK1HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170340604-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2017-11-30 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 (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-20170340604-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF BRD4, BRDT, BRD3 GPR119 988/4885CNR1 129/4885CNR2 213/4885

“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.