SCHEMBL426016

SCHEMBL426016

CC1(C)COCN1C(=O)n1cnc(-c2ccc(C(N)=O)cc2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAP4K4 O95819 3/20 0.42
▸ MKNK1 Q9BUB5 6/20 0.36
▸ MKNK2 Q9HBH9 6/20 0.36
▸ CHEK1 O14757 1/20 0.35
▸ HPGD P15428 2/20 0.35
▸ DPP4 P27487 1/20 0.33
▸ DPP8 Q6V1X1 1/20 0.33
▸ DPP9 Q86TI2 1/20 0.33
▸ TLR8 Q9NR97 1/20 0.33
▸ JAK2 O60674 1/20 0.33
▸ CNR2 P34972 1/20 0.33
▸ BRD4 O60885 1/20 0.33
▸ BRD9 Q9H8M2 1/20 0.33
▸ HSP90AA1 P07900 1/20 0.33
▸ HTR6 P50406 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ GLA P06280 1/20 0.32
▸ GAA P10253 1/20 0.32

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
SCHEMBL427535 0.87 CNR2 (0.35) MKNK1MKNK2HPGDDPP4DPP8
SCHEMBL427770 0.87 FYN (0.38) —
SCHEMBL427118 0.86 DPP4 (0.40) MAP4K4MKNK1MKNK2HPGDDPP4
SCHEMBL425743 0.86 FAAH (0.43) HPGDDPP4DPP8DPP9CNR2
SCHEMBL427620 0.84 KDM4E (0.38) HPGDCNR2KDM4EALDH1A1GAA
SCHEMBL427475 0.83 CNR2 (0.38) HPGDCNR2KDM4EALDH1A1SMN1; SMN2
SCHEMBL427656 0.83 DPP4 (0.33) HPGDDPP4DPP8DPP9CNR2
SCHEMBL425981 0.81 MIF (0.36) CNR2KDM4EHSD17B10
SCHEMBL425883 0.81 KDM1A (0.33) HPGDDPP4DPP8DPP9CNR2
SCHEMBL426001 0.80 CNR2 (0.37) DPP4DPP8DPP9CNR2ALDH1A1

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 7 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-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
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 MAP4K4 3117/4885MKNK1 4078/4885MKNK2 4231/4885

“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.

Send feedback