SCHEMBL4110447

SCHEMBL4110447

O=C(Nc1ccc(F)cc1)Nc1ccc2c(c1)CCC2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 17/20 1.00
RAB9A P51151 17/20 1.00
CASP3 P42574 2/20 0.76
SENP7 Q9BQF6 2/20 0.76
MEN1 O00255 2/20 0.74
KMT2A Q03164 2/20 0.74
SMN1; SMN2 Q16637 2/20 0.73
TP53 P04637 1/20 0.73
NFKB1 P19838 1/20 0.73
NFKB2 Q00653 1/20 0.73
RELA Q04206 1/20 0.73
POLB P06746 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
TDP1 Q9NUW8 1/20 0.62
MAPT P10636 1/20 0.61

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
SCHEMBL4111143 0.86 NPC1 (1.00) NPC1RAB9ACASP3SENP7MEN1
SCHEMBL4118296 0.86 NPC1 (0.75) NPC1RAB9ACASP3SENP7MEN1
SCHEMBL31054230 0.85 NPC1 (1.00) NPC1RAB9ACASP3SENP7MEN1
SCHEMBL4115937 0.85 NPC1 (1.00) NPC1RAB9ACASP3SENP7MEN1
SCHEMBL4112777 0.84 NPC1 (1.00) NPC1RAB9ACASP3SENP7MEN1
SCHEMBL4117896 0.84 NPC1 (0.74) NPC1RAB9ACASP3SENP7MEN1
SCHEMBL13355321 0.83 NPC1 (0.71) NPC1RAB9ACASP3SENP7MEN1
SCHEMBL15132993 0.81 NPC1 (0.70) NPC1RAB9ACASP3SENP7MEN1
SCHEMBL4123341 0.81 NPC1 (0.79) NPC1RAB9ACASP3SENP7MEN1
SCHEMBL28766991 0.81 NPC1 (0.67) NPC1RAB9ACASP3SENP7MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090239841-A1 Diaryl Ureas as CB1 Antagonists NEUROGEN CORPORATION 2009-09-24 US disclosed
US-20090239841-A1 Diaryl Ureas as CB1 Antagonists NEUROGEN CORPORATION 2009-09-24 US disclosed
US-20090239841-A1 Diaryl Ureas as CB1 Antagonists NEUROGEN CORPORATION 2009-09-24 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 (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-20090239841-A1 Diaryl Ureas as CB1 Antagonists CNR1, CNR2, OPRL1 NPC1 927/4885RAB9A 815/4885CASP3 4556/4885

“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.