SCHEMBL4121987

SCHEMBL4121987

O=C(Nc1ccc(OC(F)F)cc1)Nc1cccc(-c2ccccn2)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 6/20 0.67
MAPT P10636 6/20 0.58
LMNA P02545 2/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
MEN1 O00255 1/20 0.58
HTT P42858 1/20 0.58
KMT2A Q03164 1/20 0.58
NPSR1 Q6W5P4 1/20 0.58
GRM4 Q14833 1/20 0.56
POLB P06746 2/20 0.49
TP53 P04637 1/20 0.49
STING1 Q86WV6 1/20 0.49
RAB9A P51151 2/20 0.47
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
IDO1 P14902 1/20 0.47
KDR P35968 3/20 0.46
FGFR3 P22607 1/20 0.45
AURKA O14965 1/20 0.45
NPC1 O15118 1/20 0.45

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
SCHEMBL4104597 0.87 ABL1 (0.57) CNR1MAPTLMNASMN1; SMN2MEN1
SCHEMBL4112489 0.84 MAPT (0.67) CNR1MAPTLMNASMN1; SMN2MEN1
SCHEMBL4121525 0.84 CNR1 (0.57) CNR1MAPTLMNASMN1; SMN2MEN1
SCHEMBL4119185 0.83 MAPT (0.70) CNR1MAPTLMNASMN1; SMN2MEN1
SCHEMBL4118408 0.82 MAPT (0.58) CNR1MAPTLMNASMN1; SMN2MEN1
SCHEMBL4114114 0.82 MAPT (0.67) CNR1MAPTLMNASMN1; SMN2MEN1
SCHEMBL20557357 0.81 CNR1 (1.00) CNR1MAPTKDR
SCHEMBL30469235 0.81 CNR1 (1.00) CNR1MAPTKDR
SCHEMBL4105514 0.81 MAPT (0.57) CNR1MAPTLMNASMN1; SMN2MEN1
SCHEMBL4117235 0.81 CNR1 (0.67) CNR1MAPTLMNASMN1; SMN2MEN1

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 6 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 claimed
EP-1804785-A2 DIARYL UREAS AS CB1 ANTAGONISTS NEUROGEN CORPORATION (US) 2007-07-11 EP claimed
WO-2006049941-A2 DIARYL UREAS AS CB1 ANTAGONISTS NEUROGEN CORPORATION (US) 2006-05-11 WO claimed
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 CNR1 1/4885MAPT 1654/4885LMNA 4283/4885

“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.