SCHEMBL22834166

SCHEMBL22834166

O=C(NCCc1ccccn1)Nc1ccc(Cl)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 9/20 1.00
TAS1R3 Q7RTX0 1/20 0.75
TAS1R1 Q7RTX1 1/20 0.75
SMN1; SMN2 Q16637 4/20 0.72
CA12 O43570 1/20 0.65
CA1 P00915 1/20 0.65
CA2 P00918 1/20 0.65
CA9 Q16790 1/20 0.65
NPC1 O15118 4/20 0.64
RAB9A P51151 4/20 0.64
KDM4E B2RXH2 1/20 0.61
TP53 P04637 1/20 0.59
MEN1 O00255 1/20 0.59
KMT2A Q03164 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.56

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
SCHEMBL29615054 1.00 CNR1 (1.00) CNR1TAS1R3TAS1R1SMN1; SMN2CA12
SCHEMBL7844957 0.89 CNR1 (0.80) CNR1TAS1R3TAS1R1SMN1; SMN2CA12
SCHEMBL18317283 0.86 CNR1 (0.76) CNR1TAS1R3TAS1R1SMN1; SMN2CA12
SCHEMBL12994638 0.86 CNR1 (0.76) CNR1TAS1R3TAS1R1SMN1; SMN2CA12
SCHEMBL20379469 0.86 NPC1 (0.78) CNR1SMN1; SMN2NPC1RAB9AMEN1
SCHEMBL702289 0.86 TAS1R3 (1.00) CNR1TAS1R3TAS1R1SMN1; SMN2CA12
SCHEMBL11617438 0.83 CA12 (0.71) CNR1TAS1R3TAS1R1SMN1; SMN2CA12
SCHEMBL6566847 0.83 CNR1 (0.71) CNR1TAS1R3TAS1R1SMN1; SMN2CA12
SCHEMBL706185 0.82 CA12 (0.70) CNR1TAS1R3TAS1R1SMN1; SMN2CA12
SCHEMBL12434268 0.82 CNR1 (0.68) CNR1TAS1R3TAS1R1SMN1; SMN2CA12

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3990112-A1 UREA DERIVATIVES AS CB1 ALLOSTERIC MODULATORS RTI International (US) 2022-05-04 EP 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
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 1/4885TAS1R3 924/4885TAS1R1 733/4885

“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.