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) —
SCHEMBL427643 0.85 HSD17B1 (0.37) FYNPIK3R1
SCHEMBL7898244 0.85 KMO (0.38) —
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.

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