Sugi Predict

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SCHEMBL426101

SCHEMBL426101

CN(C(=O)n1cnc(-c2ccc[n+]([O-])c2)c1)C1CCOCC1

nearest known ligand 0.81

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ FAAH O00519 2/20 0.81
▸ CES2 O00748 1/20 0.81
▸ TGFBR1 P36897 1/20 0.37
▸ HSP90AA1 P07900 1/20 0.35
▸ USP19 O94966 1/20 0.35
▸ HSD11B1 P28845 1/20 0.34
▸ NPC1 O15118 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ MCHR1 Q99705 3/20 0.32
▸ AOC3 Q16853 2/20 0.32
▸ PDE4B Q07343 1/20 0.32
▸ PDE4D Q08499 1/20 0.32
▸ GABRA5 P31644 1/20 0.32
▸ AVPR1B P47901 1/20 0.32
▸ GPR119 Q8TDV5 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
SCHEMBL426010 0.91 FAAH (0.98) FAAHCES2HSP90AA1USP19NPC1
SCHEMBL427970 0.90 FAAH (1.00) FAAHCES2HSP90AA1USP19NPC1
SCHEMBL29683887 0.90 FAAH (1.00) FAAHCES2HSP90AA1USP19NPC1
SCHEMBL427437 0.89 FAAH (0.83) FAAHCES2HSP90AA1USP19AOC3
SCHEMBL426165 0.89 FAAH (0.63) FAAHCES2TGFBR1USP19HSD11B1
SCHEMBL7904156 0.86 FAAH (0.61) FAAHCES2TGFBR1USP19HSD11B1
SCHEMBL427868 0.86 FAAH (0.59) FAAHCES2TGFBR1USP19HSD11B1
SCHEMBL426169 0.84 FAAH (0.75) FAAHCES2HSP90AA1USP19MCHR1
SCHEMBL426088 0.82 FAAH (0.72) FAAHCES2
SCHEMBL14950286 0.81 FAAH (0.54) FAAHCES2TGFBR1MCHR1AVPR1B

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 8 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

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 463/4885TGFBR1 2746/4885
US-20120065191-A1 PHARMACEUTICAL COMPOUNDS FAAH, FAAH2, ASAH1 FAAH 1/4885CES2 62/4885TGFBR1 4727/4885

“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.