SCHEMBL426089

SCHEMBL426089

CC1(C)COCN1C(=O)n1nnc2ccc(C(N)=O)cc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.38
F12 P00748 4/20 0.36
GAA P10253 9/20 0.36
MGAM O43451 8/20 0.36
AMY1A P0DUB6 8/20 0.36
SI P14410 8/20 0.36
MGAM2 Q2M2H8 8/20 0.36
KMT2A Q03164 2/20 0.35
HPGD P15428 2/20 0.35
KDM4E B2RXH2 3/20 0.34
ALDH1A1 P00352 3/20 0.34
MAPT P10636 1/20 0.34
HTT P42858 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
HSD17B10 Q99714 2/20 0.33
CYP1A2 P05177 1/20 0.33
POLB P06746 1/20 0.33
CYP2C19 P33261 1/20 0.33
BRD4 O60885 1/20 0.33
BRPF1 P55201 1/20 0.33

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
SCHEMBL427200 0.91 NAMPT (0.45) NAMPTF12GAAMGAMAMY1A
SCHEMBL444875 0.90 HCAR3 (0.40) GAAMGAMAMY1ASIMGAM2
SCHEMBL425750 0.89 TRPV1 (0.38) GAAMGAMAMY1ASIMGAM2
SCHEMBL426102 0.87 FAAH (0.42) F12GAAMGAMAMY1ASI
SCHEMBL425936 0.86 KCNMA1 (0.39) GAAMGAMAMY1ASIMGAM2
SCHEMBL427865 0.84 PDE2A (0.39) KMT2AHPGDKDM4EALDH1A1MAPT
SCHEMBL427401 0.84 MAPT (0.47) GAAKMT2AHPGDKDM4EALDH1A1
SCHEMBL427663 0.84 FAAH (0.36) F12GAAMGAMAMY1ASI
SCHEMBL425578 0.83 FAAH (0.47) F12GAAMGAMAMY1ASI
SCHEMBL427772 0.83 KCNMA1 (0.41) NAMPTGAAMGAMAMY1ASI

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-9353082-B2 Pharmaceutical compounds BIAL—PORTELA & CA, S.A. (PT) 2016-05-31 US disclosed
US-9353082-B2 Pharmaceutical compounds BIAL—PORTELA & CA, S.A. (PT) 2016-05-31 US disclosed
US-20120065191-A1 PHARMACEUTICAL COMPOUNDS BIAL - PORTELA & Cª, S.A. (PT) 2012-03-15 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-20120065191-A1 PHARMACEUTICAL COMPOUNDS FAAH, FAAH2, ASAH1 NAMPT 372/4885F12 785/4885GAA 184/4885

“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.