SCHEMBL4894039

SCHEMBL4894039

CCCCc1ccc(NC(=O)NCCc2ccccc2)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 5/20 0.68
KDM4E B2RXH2 1/20 0.68
ALDH1A1 P00352 2/20 0.68
CYP1A2 P05177 1/20 0.68
CYP3A4 P08684 1/20 0.68
CYP2C9 P11712 1/20 0.68
CYP2C19 P33261 1/20 0.68
CNR1 P21554 4/20 0.68
NPC1 O15118 1/20 0.68
RAB9A P51151 1/20 0.68
SMN1; SMN2 Q16637 1/20 0.68
S1PR1 P21453 1/20 0.67
KMT2A Q03164 2/20 0.63
HDAC1 Q13547 1/20 0.63
HDAC2 Q92769 1/20 0.63
FPR2 P25090 1/20 0.63
HTT P42858 1/20 0.62
CA2 P00918 1/20 0.61
ROCK2 O75116 1/20 0.61
ROCK1 Q13464 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
SCHEMBL4899637 0.91 CNR1 (0.71) EPHX1KDM4EALDH1A1CYP1A2CYP3A4
SCHEMBL4637408 0.88 CNR1 (0.71) EPHX1KDM4EALDH1A1CYP1A2CYP3A4
SCHEMBL4107205 0.86 TRPV1 (0.72) EPHX1KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL4606056 0.85 EPHX1 (0.81) EPHX1KDM4EALDH1A1CYP1A2CYP3A4
SCHEMBL18862116 0.84 S1PR1 (0.65) EPHX1KDM4EALDH1A1CYP1A2CYP3A4
SCHEMBL10192078 0.84 ALDH1A1 (0.83) EPHX1KDM4EALDH1A1CYP1A2CYP3A4
SCHEMBL15094124 0.83 CA12 (0.74) ALDH1A1NPC1RAB9ASMN1; SMN2S1PR1
SCHEMBL4916720 0.82 MAPT (0.62) EPHX1KDM4EALDH1A1CYP1A2CYP3A4
SCHEMBL4176757 0.82 S1PR1 (0.78) EPHX1KDM4EALDH1A1CYP1A2CYP3A4
SCHEMBL12196188 0.82 EPHX1 (1.00) EPHX1KDM4EALDH1A1CYP1A2CYP3A4

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 EPHX1 2826/4885KDM4E 802/4885ALDH1A1 1922/4885

“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.