SCHEMBL4890252

SCHEMBL4890252

O=C(NCCc1ccccc1)Nc1ccc(C(F)(F)F)cc1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 4/20 0.76
▸ NPC1 O15118 1/20 0.68
▸ RAB9A P51151 1/20 0.68
▸ SMN1; SMN2 Q16637 1/20 0.68
▸ HDAC1 Q13547 2/20 0.67
▸ HDAC2 Q92769 2/20 0.67
▸ ROCK2 O75116 1/20 0.65
▸ ROCK1 Q13464 1/20 0.65
▸ KMT2A Q03164 2/20 0.65
▸ MEN1 O00255 1/20 0.65
▸ EPHX1 P07099 2/20 0.63
▸ CA2 P00918 2/20 0.61
▸ PLAAT3 P53816 1/20 0.61
▸ PLAAT5 Q96KN8 1/20 0.61
▸ PLAAT2 Q9NWW9 1/20 0.61
▸ PLAAT4 Q9UL19 1/20 0.61
▸ GOT1 P17174 1/20 0.61
▸ KDM4E B2RXH2 1/20 0.60
▸ FPR2 P25090 1/20 0.59
▸ EPHX2 P34913 1/20 0.58

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
SCHEMBL19472665 0.87 CNR1 (0.78) CNR1KMT2AMEN1GOT1KDM4E
SCHEMBL22834262 0.86 CNR1 (1.00) CNR1NPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL22323761 0.86 CNR1 (0.71) CNR1RAB9AKMT2AMEN1PLAAT3
SCHEMBL4921613 0.85 CNR1 (0.73) CNR1KMT2AMEN1GOT1EPHX2
SCHEMBL28406980 0.85 MEN1 (0.73) CNR1NPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL4606056 0.85 EPHX1 (0.81) CNR1NPC1RAB9ASMN1; SMN2HDAC1
SCHEMBL4108313 0.84 CNR1 (0.56) CNR1NPC1RAB9ASMN1; SMN2HDAC1
SCHEMBL2477216 0.84 CNR1 (0.73) CNR1HDAC1HDAC2KMT2AMEN1
SCHEMBL4898196 0.84 KMT2A (0.81) CNR1NPC1RAB9ASMN1; SMN2HDAC1
SCHEMBL28728293 0.82 MEN1 (0.77) CNR1SMN1; SMN2KMT2AMEN1CA2

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-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

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.

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