SCHEMBL19658657

SCHEMBL19658657

CC(=O)N1CCC(c2cnccn2)CC1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.46
EPHX2 P34913 1/20 0.46
NAMPT P43490 2/20 0.43
QDPR P09417 1/20 0.43
PDE10A Q9Y233 2/20 0.42
IDO1 P14902 1/20 0.41
IKBKB O14920 1/20 0.41
MAPK11 Q15759 1/20 0.41
MAPK14 Q16539 1/20 0.41
GPR119 Q8TDV5 1/20 0.40
CYP4F2 P78329 1/20 0.40
CYP4A11 Q02928 1/20 0.40
WNT3A P56704 1/20 0.40
KDM4E B2RXH2 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
SCHEMBL30711201 0.86 EPHX2 (0.49) CYP2C9EPHX2NAMPTGPR119KDM4E
SCHEMBL19652152 0.84 NAMPT (0.48) CYP2C9EPHX2NAMPTGPR119KDM4E
SCHEMBL30711274 0.80 GPR119 (0.65) GPR119KDM4E
SCHEMBL14413688 0.79 CYP2C9 (0.52) CYP2C9EPHX2NAMPTGPR119
SCHEMBL6232040 0.78 KDM4E (0.38) CYP2C9EPHX2KDM4E
SCHEMBL14781405 0.78 HSD11B1 (0.52) KDM4E
SCHEMBL7711264 0.78 KDM4E (0.38) CYP2C9EPHX2NAMPTPDE10AKDM4E
SCHEMBL19658655 0.77 MAPK11 (0.53) CYP2C9QDPRPDE10AIKBKBMAPK11
SCHEMBL3178259 0.76 GPR119 (0.59) CYP2C9EPHX2NAMPTGPR119KDM4E
SCHEMBL13107432 0.76 GPR119 (0.59) CYP2C9EPHX2NAMPTGPR119KDM4E

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 CYP2C9 4277/4885EPHX2 2560/4885NAMPT 571/4885

“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.