SCHEMBL426166

SCHEMBL426166

CCCN1CCC(N(C)C(=O)n2cnc(-c3ccc(F)c(OC)c3)c2)CC1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.44
CES2 O00748 1/20 0.44
AVPR1B P47901 13/20 0.43
RPS6KB1 P23443 2/20 0.40
AKT1 P31749 2/20 0.40
KCNH2 Q12809 1/20 0.39
KMT2A Q03164 1/20 0.37
CCR5 P51681 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
SCHEMBL427435 0.93 FAAH (0.42) FAAHCES2AVPR1BRPS6KB1AKT1
SCHEMBL427493 0.93 FAAH (0.46) FAAHCES2AVPR1BRPS6KB1AKT1
SCHEMBL427432 0.92 SMN1; SMN2 (0.45) FAAHCES2KMT2ACCR5
SCHEMBL428262 0.88 FAAH (0.44) FAAHCES2KCNH2CCR5
SCHEMBL427279 0.87 FAAH (0.45) FAAHCES2KCNH2KMT2A
SCHEMBL428200 0.87 FAAH (0.46) FAAHCES2KMT2ACCR5
SCHEMBL425932 0.87 FAAH (0.57) FAAHCES2AVPR1BRPS6KB1AKT1
SCHEMBL425843 0.86 FAAH (0.59) FAAHCES2AVPR1BKCNH2KMT2A
SCHEMBL427987 0.86 FAAH (0.42) FAAHCES2AVPR1BRPS6KB1AKT1
SCHEMBL424915 0.85 FAAH (0.44) FAAHCES2RPS6KB1AKT1KMT2A

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
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-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

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.