SCHEMBL427770

SCHEMBL427770

CC1(C)COCN1C(=O)n1cnc(-c2cccc(-c3cccc(C(N)=O)c3)c2)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FYN P06241 5/20 0.38
KDM1A O60341 1/20 0.36
NR4A2 P43354 1/20 0.36
STK4 Q13043 1/20 0.36
STK3 Q13188 1/20 0.36
LRRK2 Q5S007 1/20 0.36
NSD2 O96028 1/20 0.35
CYP11B2 P19099 1/20 0.35
PIK3CD O00329 1/20 0.35
PIK3R1 P27986 1/20 0.35
CCNT1 O60563 1/20 0.35
CCND1 P24385 1/20 0.35
CCNC P24863 1/20 0.35
CDK8 P49336 1/20 0.35
CDK7 P50613 1/20 0.35
CDK9 P50750 1/20 0.35
CCNH P51946 1/20 0.35
MNAT1 P51948 1/20 0.35
CDK6 Q00534 1/20 0.35
DHODH Q02127 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
SCHEMBL427485 0.89 FAAH (0.38) NR5A2
SCHEMBL426016 0.87 MAP4K4 (0.42)
SCHEMBL7898244 0.85 KMO (0.38)
SCHEMBL427643 0.85 HSD17B1 (0.37) FYNPIK3R1
SCHEMBL425743 0.85 FAAH (0.43)
SCHEMBL427956 0.82 TP53 (0.39) FYNBACE1
SCHEMBL464499 0.82 NR4A2 (0.34) NR4A2
SCHEMBL425714 0.81 CYP2A6 (0.46) FYNCYP11B2
SCHEMBL427535 0.79 CNR2 (0.35) FYN
SCHEMBL427656 0.79 DPP4 (0.33)

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 4 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
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 FYN 2251/4885KDM1A 1476/4885NR4A2 3687/4885

“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.