SCHEMBL4900931

SCHEMBL4900931

O=C(NCCc1ccccc1)Nc1ccc(F)c(F)c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 6/20 0.68
NPC1 O15118 3/20 0.68
RAB9A P51151 3/20 0.68
SMN1; SMN2 Q16637 3/20 0.68
KMT2A Q03164 3/20 0.67
MEN1 O00255 2/20 0.67
MAPT P10636 1/20 0.67
EPHX1 P07099 2/20 0.59
HDAC1 Q13547 1/20 0.59
HDAC2 Q92769 1/20 0.59
PRMT3 O60678 1/20 0.58
CA2 P00918 2/20 0.58
ROCK2 O75116 2/20 0.58
ROCK1 Q13464 2/20 0.58
CA12 O43570 1/20 0.57
CA1 P00915 1/20 0.57
CA9 Q16790 1/20 0.57
ALDH1A1 P00352 1/20 0.56
LMNA P02545 1/20 0.56
TP53 P04637 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
SCHEMBL4341517 0.89 NPC1 (0.60) CNR1NPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL4347762 0.86 NPC1 (0.59) CNR1NPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL4898196 0.84 KMT2A (0.81) CNR1NPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL4901058 0.83 KMT2A (0.71) CNR1NPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL8130325 0.81 CNR1 (0.55) CNR1NPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL4606056 0.81 EPHX1 (0.81) CNR1NPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL14470502 0.81 PRMT3 (0.74) CNR1NPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL4894746 0.81 CNR1 (1.00) CNR1NPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL28414184 0.80 KMT2A (1.00) CNR1NPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL4900580 0.79 CNR1 (0.60) CNR1NPC1RAB9ASMN1; SMN2KMT2A

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
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
WO-2007076055-A9 COMPOSITIONS AND METHODS COMPRISING PROTEINASE ACTIVATED RECEPTOR ANTAGONISTS ENTREMED INC (US) 2007-08-30 WO disclosed
WO-2007076055-A2 COMPOSITIONS AND METHODS COMPRISING PROTEINASE ACTIVATED RECEPTOR ANTAGONISTS ENTREMED, INC. (US) 2007-07-05 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-20080009477-A1 Arylalkyl Ureas As Cb1 Antagonists CNR1, CNR2, GPR119 CNR1 1/4885NPC1 511/4885RAB9A 985/4885

“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.