SCHEMBL19652154

SCHEMBL19652154

CC(C)C(=O)N1CCC(c2ccncn2)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM5A P29375 2/20 0.55
NAMPT P43490 2/20 0.47
CCR2 P41597 1/20 0.42
KCNH2 Q12809 1/20 0.42
MAPK11 Q15759 2/20 0.41
MAPK14 Q16539 2/20 0.41
DGAT1 O75907 1/20 0.41
FAAH O00519 1/20 0.40
TLR9 Q9NR96 2/20 0.40
TLR8 Q9NR97 2/20 0.40
TLR7 Q9NYK1 1/20 0.40
GPR119 Q8TDV5 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
LMNA P02545 1/20 0.38
TSHR P16473 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
SLC9A1 P19634 1/20 0.38
MAPK8 P45983 1/20 0.38
MAPK9 P45984 1/20 0.38

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
SCHEMBL19658655 0.84 MAPK11 (0.53) KDM5ACCR2KCNH2MAPK11MAPK14
SCHEMBL19652164 0.82 KDM5A (0.54) KDM5ANAMPT
SCHEMBL27282433 0.80 NAMPT (0.60) NAMPTKCNH2DGAT1TLR9TLR8
SCHEMBL19652152 0.79 NAMPT (0.48) NAMPTDGAT1FAAHTLR9TLR8
SCHEMBL25888858 0.77 GPR119 (0.65) KDM5AGPR119
SCHEMBL18965247 0.76 MAPK14 (0.48) KDM5AMAPK11MAPK14
SCHEMBL17040329 0.74 PDE4B (0.55) NAMPTSMN1; SMN2LMNACYP2C9
SCHEMBL25732197 0.73 MGLL (0.47) KDM5ANAMPTDGAT1TLR9TLR8
SCHEMBL29597773 0.73
SCHEMBL5173417 0.73

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 KDM5A 463/4885NAMPT 571/4885CCR2 731/4885
US-20170340604-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF BRD4, BRDT, BRD3 KDM5A 463/4885NAMPT 571/4885CCR2 731/4885

“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.