SCHEMBL4894746

SCHEMBL4894746

O=C(NCCc1ccccc1)Nc1ccc(Cl)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 16/20 1.00
NPC1 O15118 2/20 1.00
RAB9A P51151 2/20 1.00
SMN1; SMN2 Q16637 2/20 1.00
KDM4E B2RXH2 1/20 0.74
MEN1 O00255 2/20 0.72
MAPT P10636 2/20 0.72
KMT2A Q03164 2/20 0.72
EPHX1 P07099 1/20 0.72
FPR2 P25090 1/20 0.68

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
SCHEMBL22834266 0.92 CNR1 (1.00) CNR1NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL22834261 0.91 CNR1 (1.00) CNR1NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL22834239 0.91 CNR1 (1.00) CNR1NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL4606056 0.89 EPHX1 (0.81) CNR1NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL22834003 0.87 CNR1 (1.00) CNR1NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL29615039 0.87 CNR1 (1.00) CNR1NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL16562148 0.86 CNR1 (0.76) CNR1NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL19472655 0.86 CNR1 (0.88) CNR1NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL22834161 0.85 CNR1 (1.00) CNR1NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL22834231 0.85 KDM4E (1.00) CNR1NPC1RAB9ASMN1; SMN2KDM4E

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-20220332695-A1 UREA DERIVATIVES AS CB1 ALLOSTERIC MODULATORS RESEARCH TRIANGLE INSTITUTE 2022-10-20 US claimed
EP-3990112-A1 UREA DERIVATIVES AS CB1 ALLOSTERIC MODULATORS RTI International (US) 2022-05-04 EP claimed
CN-114269719-A Urea derivatives as CB1 allosteric modulators RTI国际 2022-04-01 CN claimed
WO-2020264176-A1 UREA DERIVATIVES AS CB1 ALLOSTERIC MODULATORS RTI INTERNATIONAL (US) 2020-12-30 WO claimed
US-20220332695-A1 UREA DERIVATIVES AS CB1 ALLOSTERIC MODULATORS RESEARCH TRIANGLE INSTITUTE 2022-10-20 US disclosed
EP-3990112-A1 UREA DERIVATIVES AS CB1 ALLOSTERIC MODULATORS RTI International (US) 2022-05-04 EP disclosed
CN-114269719-A Urea derivatives as CB1 allosteric modulators RTI国际 2022-04-01 CN disclosed
WO-2020264176-A1 UREA DERIVATIVES AS CB1 ALLOSTERIC MODULATORS RTI INTERNATIONAL (US) 2020-12-30 WO disclosed
WO-2020264176-A1 UREA DERIVATIVES AS CB1 ALLOSTERIC MODULATORS RTI INTERNATIONAL (US) 2020-12-30 WO disclosed
US-20110257146-A1 Method of Treating Kcnq Related Disorders Using Organozinc Compounds THE JOHNS HOPKINS UNIVERSITY (US) 2011-10-20 US disclosed
US-20110257146-A1 Method of Treating Kcnq Related Disorders Using Organozinc Compounds THE JOHNS HOPKINS UNIVERSITY (US) 2011-10-20 US disclosed
US-20080009477-A1 Arylalkyl Ureas As Cb1 Antagonists NEUROGEN CORPORATION (US) 2008-01-10 US disclosed
US-20080009477-A1 Arylalkyl Ureas As Cb1 Antagonists NEUROGEN CORPORATION (US) 2008-01-10 US disclosed
US-20080009477-A1 Arylalkyl Ureas As Cb1 Antagonists NEUROGEN CORPORATION (US) 2008-01-10 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 (3 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-20080009477-A1 Arylalkyl Ureas As Cb1 Antagonists CNR1, CNR2, GPR119 CNR1 1/4885NPC1 511/4885RAB9A 985/4885
US-20220332695-A1 UREA DERIVATIVES AS CB1 ALLOSTERIC MODULATORS CNR1, CNR2, GPR119 CNR1 1/4885NPC1 571/4885RAB9A 1003/4885
US-20110257146-A1 Method of Treating Kcnq Related Disorders Using Organozinc Compounds KCNQ3, KCNQ1, KCNQ5 CNR1 2047/4885NPC1 1085/4885RAB9A 3102/4885

“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.