SCHEMBL4901299

SCHEMBL4901299

N#CCOc1ccc(NC(=O)NCCc2ccccc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.61
CA12 O43570 1/20 0.61
CA1 P00915 1/20 0.61
CA9 Q16790 1/20 0.61
CNR1 P21554 6/20 0.60
KMT2A Q03164 1/20 0.60
NPC1 O15118 1/20 0.60
RAB9A P51151 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
FPR2 P25090 4/20 0.60
EPHX1 P07099 2/20 0.56
HDAC1 Q13547 2/20 0.56
HDAC2 Q92769 2/20 0.56
ROCK2 O75116 2/20 0.55
ROCK1 Q13464 1/20 0.55
KDM4E B2RXH2 1/20 0.53
ALDH1A1 P00352 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2C9 P11712 1/20 0.51

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
SCHEMBL31054229 0.84 PPARA (0.58) CA2CA12CA1CA9KMT2A
SCHEMBL14280558 0.83 CNR1 (0.76) CA2CA12CA1CA9CNR1
SCHEMBL4900240 0.82 CNR1 (0.66) CA2CA12CA1CA9CNR1
SCHEMBL4606056 0.79 EPHX1 (0.81) CA2CA12CA1CA9CNR1
SCHEMBL9331618 0.79 L3MBTL1 (0.58) KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL4893373 0.77 CASR (0.48) KMT2ANPC1RAB9AEPHX1ALDH1A1
SCHEMBL4901135 0.77 CA2 (0.64) CA2CA12CA1CA9CNR1
SCHEMBL4897395 0.76 CNR1 (0.74) CA2CA12CA1CA9CNR1
SCHEMBL4894746 0.76 CNR1 (1.00) CNR1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL5516178 0.76 CNR1 (0.73) CA2CA12CA1CA9CNR1

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 CA2 4690/4885CA12 4752/4885CA1 4681/4885

“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.