SCHEMBL427411

SCHEMBL427411

COc1cc(-c2cn(C(=O)N(C)C3CCOCC3)cn2)ccc1F

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.48
CES2 O00748 1/20 0.48
AVPR1B P47901 9/20 0.41
NPC1 O15118 2/20 0.39
RAB9A P51151 1/20 0.39
KDM1A O60341 1/20 0.38
PDE4B Q07343 1/20 0.36
PIK3CD O00329 1/20 0.36
ALDH1A1 P00352 1/20 0.36
SCD O00767 1/20 0.36
SCD5 Q86SK9 1/20 0.36
WDR5 P61964 1/20 0.36
CACNA2D1 P54289 1/20 0.35

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
SCHEMBL427345 0.92 FAAH (0.46) FAAHCES2NPC1RAB9APDE4B
SCHEMBL425932 0.91 FAAH (0.57) FAAHCES2AVPR1BKDM1ASCD
SCHEMBL428163 0.91 FAAH (0.48) FAAHCES2NPC1RAB9APDE4B
SCHEMBL425843 0.90 FAAH (0.59) FAAHCES2AVPR1BKDM1AALDH1A1
SCHEMBL427369 0.89 FAAH (0.49) FAAHCES2PDE4BPIK3CD
SCHEMBL14950293 0.87 FAAH (0.46) FAAHCES2NPC1RAB9APDE4B
SCHEMBL424911 0.87 FAAH (0.48) FAAHCES2KDM1APDE4BPIK3CD
SCHEMBL428157 0.86 FAAH (0.46) FAAHCES2NPC1RAB9APDE4B
SCHEMBL427493 0.86 FAAH (0.46) FAAHCES2AVPR1BKDM1A
SCHEMBL426156 0.86 FAAH (0.50) FAAHCES2NPC1RAB9AALDH1A1

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 13 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-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
EP-2606035-A1 PROCES FOR THE SYNTHESIS OF SUBSTITUTED UREA COMPOUNDS BIAL - Portela & CA., S.A. (PT) 2013-06-26 EP 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-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
US-20120065191-A1 PHARMACEUTICAL COMPOUNDS BIAL - PORTELA & Cª, S.A. (PT) 2012-03-15 US disclosed
WO-2012015324-A1 PROCESS FOR THE SYNTHESIS OF SUBSTITUTED UREA COMPOUNDS BIAL - PORTELA & CA, S.A. (PT) 2012-02-02 WO 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 463/4885AVPR1B 277/4885
US-20120065191-A1 PHARMACEUTICAL COMPOUNDS FAAH, FAAH2, ASAH1 FAAH 1/4885CES2 62/4885AVPR1B 1145/4885

“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.