SCHEMBL425329

SCHEMBL425329

COc1ccc(-c2cn(C(=O)N(C)C3CCNCC3)cn2)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
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
GRIN1 Q05586 1/20 0.43
GRIN2B Q13224 1/20 0.43
MCHR1 Q99705 4/20 0.41
ALDH1A1 P00352 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PLAT P00750 1/20 0.39
S1PR1 P21453 1/20 0.38
S1PR3 Q99500 1/20 0.38
CHRM2 P08172 1/20 0.38
CHRM1 P11229 1/20 0.38
CHRM3 P20309 1/20 0.38
KDM1A O60341 1/20 0.38
TLR9 Q9NR96 1/20 0.38
TLR7 Q9NYK1 1/20 0.38
ALPL P05186 1/20 0.38
CA9 Q16790 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
Hydrochloric Acid SCHEMBL445567 0.99 FAAH (0.49) FAAHCES2MEN1KMT2AGRIN1
SCHEMBL16441218 0.91 FAAH (0.48) FAAHCES2MEN1KMT2AGRIN1
Hydrochloric Acid SCHEMBL16432735 0.90 FAAH (0.47) FAAHCES2MEN1KMT2AGRIN1
SCHEMBL425965 0.90 FAAH (0.61) FAAHCES2KMT2AGRIN1GRIN2B
SCHEMBL425992 0.89 FAAH (0.62) FAAHCES2MEN1KMT2AGRIN1
SCHEMBL428013 0.87 FAAH (0.53) FAAHCES2MCHR1ALDH1A1CHRM1
SCHEMBL17828659 0.87 FAAH (0.53) FAAHCES2MEN1KMT2AMCHR1
SCHEMBL16439280 0.87 FAAH (0.47) FAAHCES2MCHR1ALPL
SCHEMBL426156 0.87 FAAH (0.50) FAAHCES2GRIN1GRIN2BMCHR1
SCHEMBL16424116 0.86 FAAH (0.46) FAAHCES2GRIN1GRIN2BTLR9

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 9 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 disclosed
US-20160166560-A1 Urea Compounds and Their Use as FAAH Enzyme Inhibitors BIAL-PORTELA & CA, S.A. (PT) 2016-06-16 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
WO-2015016729-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
WO-2015016729-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 62/4885MEN1 2893/4885
US-20160166560-A1 Urea Compounds and Their Use as FAAH Enzyme Inhibitors FAAH, FAAH2, HRH2 FAAH 1/4885CES2 33/4885MEN1 3476/4885

“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.