SCHEMBL4897147

SCHEMBL4897147

CCCc1ccc(NC(=O)NCC(C)c2ccccc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 3/20 0.55
S1PR1 P21453 1/20 0.47
GAA P10253 1/20 0.47
CASR P41180 2/20 0.47
ALDH1A1 P00352 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
ABCG2 Q9UNQ0 1/20 0.46
FPR2 P25090 1/20 0.46
NPC1 O15118 1/20 0.46
CNR1 P21554 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
KDM4E B2RXH2 1/20 0.46
KMT2A Q03164 2/20 0.46
MAPK1 P28482 2/20 0.45
MEN1 O00255 1/20 0.45
MAPT P10636 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
SCHEMBL21611850 0.83 CASR (0.66) EPHX1CASRALDH1A1CYP1A2CYP3A4
SCHEMBL20597821 0.83 CASR (0.66) EPHX1CASRALDH1A1CYP1A2CYP3A4
SCHEMBL3668675 0.83 CASR (0.66) EPHX1CASRALDH1A1CYP1A2CYP3A4
SCHEMBL4111018 0.80 TP53 (0.61) EPHX1ALDH1A1CYP2C19ABCG2NPC1
SCHEMBL4899637 0.79 CNR1 (0.71) EPHX1S1PR1ALDH1A1CYP1A2CYP3A4
SCHEMBL15306494 0.78 ALDH1A1 (0.58) ALDH1A1NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL15093809 0.76 HRH3 (0.65) S1PR1GAAABCG2NPC1CNR1
SCHEMBL4893373 0.74 CASR (0.48) EPHX1CASRALDH1A1NPC1RAB9A
SCHEMBL8122238 0.72 CASR (0.52) EPHX1CASRCYP1A2CYP2C9CYP2C19
SCHEMBL6695979 0.72 S1PR1 (0.64) EPHX1S1PR1GAANPC1RAB9A

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 2826/4885S1PR1 1976/4885GAA 1233/4885

“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.