Sugi Predict

Sugi Predict / Compounds / SCHEMBL426142

SCHEMBL426142

SCHEMBL426142

CCOC(=O)N1CCN(C(=O)n2cnc(-c3ccc[n+]([O-])c3)c2)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FAAH O00519 3/20 0.52
▸ CES2 O00748 1/20 0.52
▸ P2RY12 Q9H244 2/20 0.50
▸ MGLL Q99685 2/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ LMNA P02545 2/20 0.42
▸ TSHR P16473 1/20 0.39
▸ ALDH1A1 P00352 4/20 0.39
▸ SMN1; SMN2 Q16637 3/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ PKM P14618 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ NPC1 O15118 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ HCRTR1 O43613 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL447273 0.81 CYP2A6 (0.50) FAAHMGLLLMNAALDH1A1MEN1
SCHEMBL427335 0.76 FAAH (0.65) FAAHCES2P2RY12LMNAALDH1A1
SCHEMBL14946897 0.73 FAAH (0.55) FAAHCES2P2RY12CYP1A2HSD17B10
SCHEMBL427847 0.71 FAAH (0.54) FAAHCES2CYP1A2HSD17B10TSHR
SCHEMBL19293990 0.71 FAAH (0.47) FAAHALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL424892 0.71 FAAH (0.61) FAAHCES2P2RY12CYP1A2TSHR
SCHEMBL428158 0.71 FAAH (0.78) FAAHCES2ALDH1A1MEN1KMT2A
SCHEMBL1907307 0.70 FAAH (0.53) FAAHCYP1A2HSD17B10LMNAALDH1A1
SCHEMBL426169 0.69 FAAH (0.75) FAAHCES2
SCHEMBL427848 0.69 FAAH (0.64) FAAHCES2P2RY12LMNASMN1; SMN2

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
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-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

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 463/4885P2RY12 3440/4885
US-20120065191-A1 PHARMACEUTICAL COMPOUNDS FAAH, FAAH2, ASAH1 FAAH 1/4885CES2 62/4885P2RY12 1194/4885

“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.