SCHEMBL22834239

SCHEMBL22834239

O=C(NCCCc1ccccc1)Nc1ccc(Cl)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 10/20 1.00
SMN1; SMN2 Q16637 3/20 0.83
NPC1 O15118 1/20 0.83
RAB9A P51151 1/20 0.83
KDM4E B2RXH2 2/20 0.80
EPHX1 P07099 2/20 0.80
ALDH1A1 P00352 3/20 0.74
CYP1A2 P05177 1/20 0.74
CYP3A4 P08684 1/20 0.74
CYP2C9 P11712 1/20 0.74
CYP2C19 P33261 1/20 0.74
KMT2A Q03164 4/20 0.73
MEN1 O00255 2/20 0.73
LMNA P02545 2/20 0.73
HTT P42858 2/20 0.73
TP53 P04637 1/20 0.73
MAPT P10636 1/20 0.70
CASR P41180 1/20 0.62

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
SCHEMBL4894746 0.91 CNR1 (1.00) CNR1SMN1; SMN2NPC1RAB9AKDM4E
SCHEMBL12196188 0.89 EPHX1 (1.00) CNR1SMN1; SMN2NPC1RAB9AKDM4E
SCHEMBL21045306 0.84 EPHX1 (0.90) CNR1SMN1; SMN2NPC1RAB9AKDM4E
SCHEMBL5683802 0.83 CNR1 (0.71) CNR1SMN1; SMN2NPC1RAB9AKDM4E
SCHEMBL9749089 0.83 EPHX1 (0.88) CNR1SMN1; SMN2NPC1RAB9AKDM4E
SCHEMBL22834261 0.83 CNR1 (1.00) CNR1SMN1; SMN2NPC1RAB9AKDM4E
SCHEMBL22834266 0.83 CNR1 (1.00) CNR1SMN1; SMN2NPC1RAB9AKDM4E
Iodide SCHEMBL5684458 0.83 CNR1 (0.70) CNR1SMN1; SMN2NPC1RAB9AKDM4E
SCHEMBL11048686 0.82 CNR1 (0.70) CNR1SMN1; SMN2NPC1RAB9AEPHX1
SCHEMBL16562011 0.82 CNR1 (0.85) CNR1SMN1; SMN2NPC1RAB9AHTT

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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20220332695-A1 UREA DERIVATIVES AS CB1 ALLOSTERIC MODULATORS CNR1, CNR2, GPR119 CNR1 1/4885SMN1; SMN2 4012/4885NPC1 571/4885

“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.