SCHEMBL426237

SCHEMBL426237

CN(C(=O)n1cnc(-c2ccc(NS(N)(=O)=O)cc2)c1)C1CCN(Cc2ccccc2)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 2/20 0.45
CES2 O00748 1/20 0.45
DRD2 P14416 4/20 0.44
DRD4 P21917 1/20 0.44
DRD3 P35462 1/20 0.44
SIGMAR1 Q99720 4/20 0.43
HTR2A P28223 3/20 0.43
HTR2C P28335 3/20 0.43
HTR2B P41595 3/20 0.43
CHRM4 P08173 1/20 0.43
CCR4 P51679 2/20 0.42
KCNH2 Q12809 1/20 0.42
JAK2 O60674 2/20 0.41
JAK3 P52333 2/20 0.41
OPRM1 P35372 4/20 0.41
OPRD1 P41143 1/20 0.41
OPRK1 P41145 1/20 0.41
PARP1 P09874 1/20 0.40
PARP2 Q9UGN5 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL16433000 0.93 FAAH (0.45) FAAHCES2DRD2DRD4DRD3
Hydrochloric Acid SCHEMBL16432898 0.92 FAAH (0.45) FAAHCES2DRD2DRD4DRD3
SCHEMBL427523 0.89 FAAH (0.49) FAAHCES2DRD2DRD4DRD3
SCHEMBL424816 0.87 DRD2 (0.57) FAAHCES2DRD2DRD4DRD3
SCHEMBL427522 0.86 DRD2 (0.49) FAAHCES2DRD2DRD4DRD3
SCHEMBL425036 0.86 KCNH2 (0.50) FAAHCES2DRD2DRD4DRD3
SCHEMBL428152 0.85 DRD2 (0.50) FAAHCES2DRD2DRD4DRD3
SCHEMBL426011 0.85 DRD2 (0.50) FAAHCES2DRD2DRD4DRD3
SCHEMBL14950181 0.85 DRD2 (0.50) FAAHCES2DRD2DRD4DRD3
SCHEMBL426100 0.85 DRD2 (0.47) FAAHCES2DRD2DRD4DRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160166560-A1 Urea Compounds and Their Use as FAAH Enzyme Inhibitors BIAL-PORTELA & CA, S.A. (PT) 2016-06-16 US claimed
EP-3027610-A1 UREA COMPOUNDS AND THEIR USE AS FAAH ENZYME INHIBITORS BIAL - Portela & Cª S.A. (PT) 2016-06-08 EP claimed
WO-2015016728-A1 UREA COMPOUNDS AND THEIR USE AS FAAH ENZYME INHIBITORS BIAL - PORTELA & Cª, S.A. (PT) 2015-02-05 WO claimed
US-20160166560-A1 Urea Compounds and Their Use as FAAH Enzyme Inhibitors BIAL-PORTELA & CA, S.A. (PT) 2016-06-16 US disclosed
US-20160166560-A1 Urea Compounds and Their Use as FAAH Enzyme Inhibitors BIAL-PORTELA & CA, S.A. (PT) 2016-06-16 US disclosed
EP-3027610-A1 UREA COMPOUNDS AND THEIR USE AS FAAH ENZYME INHIBITORS BIAL - Portela & Cª S.A. (PT) 2016-06-08 EP disclosed
EP-3027610-A1 UREA COMPOUNDS AND THEIR USE AS FAAH ENZYME INHIBITORS BIAL - Portela & Cª S.A. (PT) 2016-06-08 EP 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
CN-105593226-A Urea compounds and their use as FAAH enzyme inhibitors BIAL-PORTELA & CA S A 2016-05-18 CN disclosed
WO-2015016728-A1 UREA COMPOUNDS AND THEIR USE AS FAAH ENZYME INHIBITORS BIAL - PORTELA & Cª, S.A. (PT) 2015-02-05 WO disclosed
WO-2015016728-A1 UREA COMPOUNDS AND THEIR USE AS FAAH ENZYME INHIBITORS BIAL - PORTELA & Cª, S.A. (PT) 2015-02-05 WO 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-20120065191-A1 PHARMACEUTICAL COMPOUNDS FAAH, FAAH2, ASAH1 FAAH 1/4885CES2 62/4885DRD2 1602/4885
US-20160166560-A1 Urea Compounds and Their Use as FAAH Enzyme Inhibitors FAAH, FAAH2, HRH2 FAAH 1/4885CES2 33/4885DRD2 1239/4885

“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.