SCHEMBL10210709

SCHEMBL10210709

CCOC(=O)C1=NOC2(CCCN(C)C2)C1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.40
KDM4E B2RXH2 3/20 0.39
MAPT P10636 1/20 0.39
RECQL P46063 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
USP2 O75604 1/20 0.35
ALDH1A1 P00352 4/20 0.33
TSHR P16473 2/20 0.32
OPRM1 P35372 3/20 0.32
SLC22A1 O15245 1/20 0.32
SLC6A4 P31645 1/20 0.32
ADRA1A P35348 1/20 0.32
OPRD1 P41143 1/20 0.32
OPRK1 P41145 1/20 0.32
KCNH2 Q12809 1/20 0.32
LMNA P02545 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
HTR2C P28335 1/20 0.32
GAA P10253 1/20 0.32

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
SCHEMBL10168594 0.84 HSD17B10 (0.38) HSD17B10KDM4EMAPTRECQLTDP1
SCHEMBL203980 0.84 HSD17B10 (0.46) HSD17B10KDM4EMAPTRECQLTDP1
SCHEMBL2310754 0.83 HSD17B10 (0.45) HSD17B10KDM4EMAPTRECQLTDP1
SCHEMBL10210707 0.81 HDAC3 (0.36) HSD17B10USP2ALDH1A1TSHR
SCHEMBL10210708 0.78 CDK4 (0.35) HSD17B10USP2ALDH1A1TSHR
SCHEMBL31470348 0.77 GPR119 (0.48) HSD17B10KDM4EMAPTRECQLTDP1
SCHEMBL2358076 0.76 HSD17B10 (0.44) HSD17B10KDM4EMAPTRECQLTDP1
SCHEMBL12153367 0.75 MAPT (0.42) HSD17B10KDM4EMAPTRECQLTDP1
SCHEMBL22057125 0.75 MAPT (0.43) HSD17B10KDM4EMAPTRECQLTDP1
Hydrochloric Acid SCHEMBL20564662 0.74 KDM4E (0.42) HSD17B10KDM4EMAPTRECQLTDP1

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-20120082702-A1 NICOTINAMIDE COMPOUNDS USEFUL AS KINASE MODULATORS BRISTOL-MEYERS SQUIBB COMPANY 2012-04-05 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-20120082702-A1 NICOTINAMIDE COMPOUNDS USEFUL AS KINASE MODULATORS NADK, BTK, NAMPT HSD17B10 2457/4885KDM4E 2606/4885MAPT 3529/4885

“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.