SCHEMBL424140

SCHEMBL424140

CN(C(=O)n1cnc(-c2cccnc2)c1)C1CCCCC1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 2/20 0.67
CES2 O00748 1/20 0.67
CYP2E1 P05181 2/20 0.47
CYP2A6 P11509 2/20 0.47
CYP2C9 P11712 2/20 0.47
CYP2B6 P20813 2/20 0.47
CYP2C19 P33261 2/20 0.47
CYP3A4 P08684 2/20 0.45
TRPV1 Q8NER1 2/20 0.43
HSP90AA1 P07900 1/20 0.43
DYRK1A Q13627 1/20 0.43
USP19 O94966 1/20 0.42
ALDH1A1 P00352 3/20 0.41
POLB P06746 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
TRPA1 O75762 1/20 0.41
MGLL Q99685 1/20 0.41
GBA1 P04062 3/20 0.40
ACHE P22303 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
SCHEMBL426094 0.99 FAAH (0.66) FAAHCES2CYP2E1CYP2A6CYP2C9
SCHEMBL427890 0.90 FAAH (0.55) FAAHCES2CYP2E1CYP2A6CYP2C9
SCHEMBL424383 0.89 FAAH (0.74) FAAHCES2TRPV1USP19ALDH1A1
SCHEMBL427343 0.89 FAAH (0.54) FAAHCES2CYP2E1CYP2A6CYP2C9
SCHEMBL424221 0.89 FAAH (0.54) FAAHCES2CYP2E1CYP2A6CYP2C9
SCHEMBL426128 0.88 FAAH (0.66) FAAHCES2TRPV1HSP90AA1USP19
SCHEMBL427505 0.87 FAAH (0.52) FAAHCES2CYP2E1CYP2A6CYP2C9
SCHEMBL428153 0.87 FAAH (0.52) FAAHCES2CYP2E1CYP2A6CYP2C9
SCHEMBL424938 0.86 FAAH (0.52) FAAHCES2CYP2E1CYP2A6CYP2C9
SCHEMBL425456 0.85 FAAH (0.53) FAAHCES2CYP2E1CYP2A6CYP2C9

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 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11078163-B2 Processes for the synthesis of substituted urea compounds Bial-Portela & Cª, S.A. (PT) 2021-08-03 US disclosed
US-20200140391-A1 Processes for the Synthesis of Substituted Urea Compounds BIAL-PORTELA & CA, S.A. (PT) 2020-05-07 US disclosed
EP-3097082-B1 PROCESSES FOR THE SYNTHESIS OF SUBSTITUTED UREA COMPOUNDS BIAL PORTELA & CA SA (PT) 2019-10-02 EP disclosed
EP-2606035-B1 PROCES FOR THE SYNTHESIS OF SUBSTITUTED UREA COMPOUNDS BIAL - PORTELA & CA S A (PT) 2017-09-06 EP disclosed
EP-2606035-B1 PROCES FOR THE SYNTHESIS OF SUBSTITUTED UREA COMPOUNDS BIAL - PORTELA & CA S A (PT) 2017-09-06 EP disclosed
US-20170001962-A1 Processes for the Synthesis of Substituted Urea Compounds Bial-Portela & Cª, S.A. (PT) 2017-01-05 US disclosed
US-20170001962-A1 Processes for the Synthesis of Substituted Urea Compounds Bial-Portela & Cª, S.A. (PT) 2017-01-05 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-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
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
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
CN-102333568-A Pharmaceutical compounds BIAL PORTELA & CA SA 2012-01-25 CN disclosed
EP-2382012-A2 PHARMACEUTICAL COMPOUNDS Bial-Portela & CA, S.A. (PT) 2011-11-02 EP disclosed
WO-2010074588-A2 PHARMACEUTICAL COMPOUNDS BIAL - PORTELA & Cª, S.A. (PT) 2010-07-01 WO disclosed
WO-2010074588-A2 PHARMACEUTICAL COMPOUNDS BIAL - PORTELA & Cª, S.A. (PT) 2010-07-01 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 (5 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 463/4885CYP2E1 411/4885
US-20170001962-A1 Processes for the Synthesis of Substituted Urea Compounds H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, ODC1, REN FAAH 2900/4885CES2 698/4885CYP2E1 293/4885
US-20200140391-A1 Processes for the Synthesis of Substituted Urea Compounds GRHPR, REN, ODC1 FAAH 3163/4885CES2 633/4885CYP2E1 216/4885
US-20120065191-A1 PHARMACEUTICAL COMPOUNDS FAAH, FAAH2, ASAH1 FAAH 1/4885CES2 62/4885CYP2E1 222/4885
US-11078163-B2 Processes for the synthesis of substituted urea compounds GRHPR, REN, ODC1 FAAH 3163/4885CES2 633/4885CYP2E1 216/4885

“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.