Sugi Predict

Sugi Predict / Compounds / SCHEMBL428158

SCHEMBL428158

SCHEMBL428158

CCN(C(=O)n1cnc(-c2ccc[n+]([O-])c2)c1)C1CCCCC1

nearest known ligand 0.78

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ FAAH O00519 2/20 0.78
▸ CES2 O00748 1/20 0.78
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ RAB9A P51151 1/20 0.37
▸ RXFP1 Q9HBX9 1/20 0.36
▸ ATM Q13315 2/20 0.36
▸ KCNK3 O14649 1/20 0.36
▸ KCNK9 Q9NPC2 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ BRD4 O60885 1/20 0.36
▸ SLC6A2 P23975 1/20 0.35
▸ SLC6A4 P31645 1/20 0.35
▸ HSP90AA1 P07900 1/20 0.35
▸ USP19 O94966 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ ADORA2A P29274 1/20 0.35
▸ GAA P10253 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
SCHEMBL427970 0.88 FAAH (1.00) FAAHCES2RAB9AATMALDH1A1
SCHEMBL426010 0.87 FAAH (0.98) FAAHCES2RAB9AALDH1A1HSP90AA1
SCHEMBL427562 0.86 FAAH (0.56) FAAHCES2L3MBTL1RAB9AATM
SCHEMBL427335 0.82 FAAH (0.65) FAAHCES2RAB9AALDH1A1HSP90AA1
SCHEMBL428153 0.81 FAAH (0.52) FAAHCES2L3MBTL1KCNK3KCNK9
SCHEMBL425912 0.79 FAAH (0.49) FAAHCES2RAB9ARXFP1ALDH1A1
SCHEMBL427437 0.79 FAAH (0.83) FAAHCES2HSP90AA1USP19
SCHEMBL424892 0.78 FAAH (0.61) FAAHCES2HSP90AA1MEN1KMT2A
SCHEMBL426169 0.78 FAAH (0.75) FAAHCES2HSP90AA1USP19
SCHEMBL427646 0.78 FAAH (0.48) FAAHCES2RAB9AHSP90AA1

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2606035-B1 PROCES FOR THE SYNTHESIS OF SUBSTITUTED UREA COMPOUNDS BIAL - PORTELA & CA S A (PT) 2017-09-06 — — EP disclosed
US-9458111-B2 Process for the synthesis of substituted urea compounds BIAL—PORTELA & CA, S.A. (PT) 2016-10-04 — — US disclosed
US-9458111-B2 Process for the synthesis of substituted urea compounds BIAL—PORTELA & CA, S.A. (PT) 2016-10-04 — — 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-20130123493-A1 PROCESS FOR THE SYNTHESIS OF SUBSTITUTED UREA COMPOUNDS BIAL - PORTELA & CA, S.A. (PT) 2013-05-16 — — US disclosed
US-20130123493-A1 PROCESS FOR THE SYNTHESIS OF SUBSTITUTED UREA COMPOUNDS BIAL - PORTELA & CA, S.A. (PT) 2013-05-16 — — 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 (2 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-20130123493-A1 PROCESS FOR THE SYNTHESIS OF SUBSTITUTED UREA COMPOUNDS UTS2R, ARG1, PRMT1 FAAH 2166/4885CES2 463/4885L3MBTL1 4687/4885
US-20120065191-A1 PHARMACEUTICAL COMPOUNDS FAAH, FAAH2, ASAH1 FAAH 1/4885CES2 62/4885L3MBTL1 4550/4885

“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.