SCHEMBL426139

SCHEMBL426139

CCN1CCC(N(C)C(=O)n2cnc(-c3cccc(N)c3)c2)CC1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ FAAH O00519 2/20 0.51
▸ CES2 O00748 1/20 0.51
▸ AOC3 Q16853 6/20 0.39
▸ OPRM1 P35372 1/20 0.37
▸ OPRD1 P41143 1/20 0.37
▸ OPRK1 P41145 1/20 0.37
▸ ADORA2A P29274 1/20 0.37
▸ ADORA1 P30542 1/20 0.37
▸ USP19 O94966 1/20 0.37
▸ RAD52 P43351 1/20 0.37
▸ MAP4K4 O95819 2/20 0.36
▸ MTOR P42345 1/20 0.36
▸ HPGDS O60760 1/20 0.36
▸ POLB P06746 1/20 0.35
▸ CCR5 P51681 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ SMN1; SMN2 Q16637 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
SCHEMBL427909 0.92 FAAH (0.49) FAAHCES2AOC3OPRM1OPRD1
SCHEMBL14950257 0.89 FAAH (0.52) FAAHCES2AOC3USP19RAD52
SCHEMBL425027 0.89 DRD2 (0.49) FAAHCES2OPRM1OPRD1OPRK1
SCHEMBL15554007 0.87 FAAH (0.64) FAAHCES2AOC3USP19MAP4K4
SCHEMBL427164 0.86 FAAH (0.66) FAAHCES2USP19MAP4K4POLB
SCHEMBL428187 0.86 FAAH (0.49) FAAHCES2OPRM1OPRD1HPGDS
SCHEMBL424938 0.85 FAAH (0.52) FAAHCES2AOC3ALDH1A1
SCHEMBL426168 0.85 FAAH (0.50) FAAHCES2CCR5ALDH1A1SMN1; SMN2
SCHEMBL16424253 0.85 FAAH (0.53) FAAHCES2AOC3USP19
SCHEMBL16432112 0.84 KDM4E (0.46) FAAHCES2POLBCCR5ALDH1A1

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 FAAH 1/4885CES2 62/4885AOC3 933/4885

“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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