SCHEMBL425750

SCHEMBL425750

CC1(C)COCN1C(=O)n1nnc2ccc(-c3cccc(C(N)=O)c3)cc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 2/20 0.38
LIMK1 P53667 1/20 0.37
MGLL Q99685 6/20 0.36
FAAH O00519 5/20 0.36
MGAM O43451 2/20 0.36
AMY1A P0DUB6 2/20 0.36
GAA P10253 2/20 0.36
SI P14410 2/20 0.36
MGAM2 Q2M2H8 2/20 0.36
ERN1 O75460 1/20 0.35
TDP2 O95551 1/20 0.34
RAF1 P04049 2/20 0.34
BRAF P15056 2/20 0.34
KMT2A Q03164 2/20 0.34
CCNE2 O96020 1/20 0.34
CCNE1 P24864 1/20 0.34
CDK2 P24941 1/20 0.34
JAK1 P23458 1/20 0.34
JAK3 P52333 1/20 0.34
IP6K1 Q92551 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
SCHEMBL427772 0.92 KCNMA1 (0.41) TRPV1LIMK1MGLLFAAHMGAM
SCHEMBL426089 0.89 NAMPT (0.38) MGLLFAAHMGAMAMY1AGAA
SCHEMBL424689 0.88 KCNMA1 (0.42) MGLLFAAHMGAMAMY1AGAA
SCHEMBL427200 0.83 NAMPT (0.45) MGAMAMY1AGAASIMGAM2
SCHEMBL425936 0.80 KCNMA1 (0.39) MGLLFAAHMGAMAMY1AGAA
SCHEMBL425578 0.80 FAAH (0.47) MGLLFAAHMGAMAMY1AGAA
SCHEMBL444875 0.79 HCAR3 (0.40) MGLLFAAHMGAMAMY1AGAA
SCHEMBL427663 0.78 FAAH (0.36) MGLLFAAHMGAMAMY1AGAA
SCHEMBL424701 0.78 F12 (0.42) MGLLFAAHMGAMAMY1AGAA
SCHEMBL426102 0.77 FAAH (0.42) MGLLFAAHMGAMAMY1AGAA

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 5 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
WO-2010074588-A2 PHARMACEUTICAL COMPOUNDS BIAL - PORTELA & Cª, S.A. (PT) 2010-07-01 WO 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 TRPV1 165/4885LIMK1 4772/4885MGLL 11/4885

“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.