SCHEMBL14937893

SCHEMBL14937893

CN(C(=O)n1cnc(-c2cccc([N+](=O)[O-])c2)c1)C1CCN(S(C)(=O)=O)CC1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.52
CES2 O00748 1/20 0.52
KMT2A Q03164 1/20 0.48
LMNA P02545 1/20 0.41
JAK2 O60674 2/20 0.40
JAK1 P23458 1/20 0.40
KEAP1 Q14145 5/20 0.39
NFE2L2 Q16236 5/20 0.39
CCR5 P51681 1/20 0.39
NPY5R Q15761 9/20 0.39

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
SCHEMBL14938107 0.88 FAAH (0.63) FAAHCES2KMT2AKEAP1NFE2L2
SCHEMBL17828652 0.87 FAAH (0.51) FAAHCES2LMNAKEAP1NFE2L2
SCHEMBL424641 0.87 FAAH (0.64) FAAHCES2KMT2AKEAP1NFE2L2
SCHEMBL426168 0.86 FAAH (0.50) FAAHCES2KMT2ALMNAKEAP1
SCHEMBL14950260 0.86 FAAH (0.53) FAAHCES2NPY5R
SCHEMBL14937765 0.85 FAAH (0.52) FAAHCES2KMT2ALMNAKEAP1
SCHEMBL16439264 0.85 FAAH (0.52) FAAHCES2KEAP1NFE2L2
SCHEMBL427893 0.85 FAAH (0.49) FAAHCES2KMT2ALMNAKEAP1
Hydrochloric Acid SCHEMBL16433035 0.84 FAAH (0.52) FAAHCES2KEAP1NFE2L2
SCHEMBL14937997 0.83 NPY5R (0.53) FAAHCES2KMT2ACCR5NPY5R

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 5 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-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

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-20130123493-A1 PROCESS FOR THE SYNTHESIS OF SUBSTITUTED UREA COMPOUNDS UTS2R, ARG1, PRMT1 FAAH 2166/4885CES2 463/4885KMT2A 632/4885

“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.