SCHEMBL19652203

SCHEMBL19652203

CC(C)C(=O)N1CCC(C#N)CC1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ DPP4 P27487 6/20 0.40
▸ CHRNB2 P17787 1/20 0.40
▸ CHRNA3 P32297 1/20 0.40
▸ CHRNA4 P43681 1/20 0.40
▸ CHRNB3 Q05901 1/20 0.40
▸ CHRNA6 Q15825 1/20 0.40
▸ PDE9A O76083 1/20 0.39
▸ EPHX2 P34913 1/20 0.37
▸ NAMPT P43490 1/20 0.36
▸ FAAH O00519 1/20 0.35
▸ CYP2D6 P10635 1/20 0.34
▸ KCNH2 Q12809 1/20 0.34
▸ HRH3 Q9Y5N1 1/20 0.34

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
SCHEMBL27023123 0.89 JAK1 (0.42) MEN1ALDH1A1KMT2ADPP4CHRNB2
SCHEMBL14655949 0.85 DPP4 (0.53) MEN1ALDH1A1KMT2ADPP4
SCHEMBL19981814 0.82 DPP4 (0.55) DPP4
SCHEMBL22698942 0.80 CYP2C19 (0.42) MEN1ALDH1A1KMT2ADPP4PDE9A
SCHEMBL14790967 0.80 CHRNB2 (0.52) DPP4CHRNB2CHRNA3CHRNA4CHRNB3
SCHEMBL15203513 0.79 DPP4 (0.55) KMT2ADPP4
SCHEMBL458221 0.78 GPR119 (0.41) DPP4FAAH
SCHEMBL27057437 0.78 MEN1 (0.41) MEN1ALDH1A1KMT2ACHRNB2CHRNA3
SCHEMBL6107767 0.78 EPHX2 (0.43) DPP4EPHX2
SCHEMBL2456457 0.78 DPP4 (0.56) DPP4

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 MEN1 1364/4885ALDH1A1 1563/4885KMT2A 165/4885

“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.

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