Sugi Predict

Sugi Predict / Compounds / SCHEMBL426168

SCHEMBL426168

SCHEMBL426168

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FAAH O00519 2/20 0.50
▸ CES2 O00748 1/20 0.50
▸ CCR5 P51681 2/20 0.45
▸ UBE2M P61081 1/20 0.41
▸ DCUN1D1 Q96GG9 1/20 0.41
▸ MAPT P10636 5/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ KEAP1 Q14145 2/20 0.39
▸ NFE2L2 Q16236 2/20 0.39
▸ VCP P55072 1/20 0.39
▸ ALDH1A1 P00352 4/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ SIGMAR1 Q99720 1/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ RAB9A P51151 1/20 0.37

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
SCHEMBL427893 0.93 FAAH (0.49) FAAHCES2CCR5UBE2MDCUN1D1
SCHEMBL14937854 0.89 SIGMAR1 (0.49) FAAHCES2CCR5MAPTMEN1
SCHEMBL14938107 0.88 FAAH (0.63) FAAHCES2CCR5MAPTMEN1
SCHEMBL17828652 0.88 FAAH (0.51) FAAHCES2CCR5MAPTLMNA
SCHEMBL424641 0.88 FAAH (0.64) FAAHCES2CCR5MAPTMEN1
SCHEMBL14937893 0.86 FAAH (0.52) FAAHCES2CCR5LMNAKMT2A
SCHEMBL14937765 0.86 FAAH (0.52) FAAHCES2CCR5MAPTMEN1
SCHEMBL16439264 0.86 FAAH (0.52) FAAHCES2MAPTKEAP1NFE2L2
SCHEMBL14950257 0.85 FAAH (0.52) FAAHCES2CCR5UBE2MDCUN1D1
SCHEMBL16433292 0.85 ALDH1A1 (0.46) FAAHCES2CCR5MAPTMEN1

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 463/4885CCR5 3737/4885
US-20120065191-A1 PHARMACEUTICAL COMPOUNDS FAAH, FAAH2, ASAH1 FAAH 1/4885CES2 62/4885CCR5 1633/4885

“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.