SCHEMBL19652152

SCHEMBL19652152

CC(C)C(=O)N1CCC(c2cnccn2)CC1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 6/20 0.48
CYP2C9 P11712 1/20 0.46
EPHX2 P34913 1/20 0.46
FAAH O00519 1/20 0.41
SMYD3 Q9H7B4 1/20 0.40
TLR9 Q9NR96 1/20 0.39
TLR8 Q9NR97 1/20 0.39
TLR7 Q9NYK1 1/20 0.39
MAPK8 P45983 1/20 0.38
MAPK9 P45984 1/20 0.38
MAPK10 P53779 1/20 0.38
GPR119 Q8TDV5 1/20 0.38
KDM4E B2RXH2 1/20 0.37
VNN1 O95497 1/20 0.37
DGAT1 O75907 1/20 0.37

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
SCHEMBL19658657 0.84 CYP2C9 (0.46) NAMPTCYP2C9EPHX2GPR119KDM4E
SCHEMBL30711201 0.82 EPHX2 (0.49) NAMPTCYP2C9EPHX2FAAHGPR119
SCHEMBL19652164 0.80 KDM5A (0.54) NAMPT
SCHEMBL19652154 0.79 KDM5A (0.55) NAMPTCYP2C9FAAHTLR9TLR8
SCHEMBL16218245 0.77 PARP1 (0.41) CYP2C9EPHX2TLR9TLR8TLR7
SCHEMBL30711274 0.77 GPR119 (0.65) GPR119KDM4E
SCHEMBL14413688 0.75 CYP2C9 (0.52) NAMPTCYP2C9EPHX2GPR119
SCHEMBL6232040 0.75 KDM4E (0.38) CYP2C9EPHX2KDM4E
SCHEMBL27282433 0.75 NAMPT (0.60) NAMPTTLR9TLR8TLR7DGAT1
SCHEMBL25604684 0.74 ALDH1A1 (0.41) NAMPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10258603-B2 Therapeutic compounds and uses thereof GENENTECH, INC. (US) 2019-04-16 US 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

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-10258603-B2 Therapeutic compounds and uses thereof BRD4, BRDT, BRD3 NAMPT 571/4885CYP2C9 4277/4885EPHX2 2560/4885
US-20170340604-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF BRD4, BRDT, BRD3 NAMPT 571/4885CYP2C9 4277/4885EPHX2 2560/4885

“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.