SCHEMBL6399839

SCHEMBL6399839

O=C(O)CCc1cc(Cl)ccc1NC1CCN(C(=O)O)CC1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 3/20 0.43
ENPP2 Q13822 3/20 0.42
NOS1 P29475 1/20 0.42
NOS2 P35228 1/20 0.42
EPHX2 P34913 3/20 0.41
PTGDR Q13258 1/20 0.39
TACR1 P25103 1/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.38
USP2 O75604 1/20 0.38
RHOC P08134 1/20 0.38
RHOA P61586 1/20 0.38
TP53 P04637 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PAK1 Q13153 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2J2 P51589 1/20 0.38
PTGES O14684 1/20 0.38

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
SCHEMBL6405971 0.85 EPHX2 (0.43) CNR1NOS1NOS2EPHX2RHOC
SCHEMBL4711912 0.85 CNR1 (0.50) CNR1ENPP2NOS1NOS2TP53
SCHEMBL22495140 0.79 PAK1 (0.43) CNR1NOS1NOS2EPHX2RHOC
SCHEMBL22495122 0.76 HCAR3 (0.59) SMN1; SMN2
SCHEMBL4717960 0.73 NOS2 (0.52) CNR1NOS1NOS2TP53SMN1; SMN2
SCHEMBL27506229 0.72 DCTPP1 (0.52) SMN1; SMN2CYP2C9
SCHEMBL11259285 0.72 GAA (0.49) CYP2C9
SCHEMBL27626141 0.72 POLB (0.61) EPHX2RHOCRHOATP53SMN1; SMN2
SCHEMBL16485928 0.72 SPR (0.43) NOS1NOS2EPHX2RHOCRHOA
SCHEMBL1859729 0.71 KDM1A (0.37) EPHX2SMN1; SMN2PAK1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050101587-A9 Method for treating allergies using substituted pyrazoles ORTHO MCNEIL PHARMACEUTICALS, INC. 2005-05-12 US disclosed
US-20020055497-A1 Method for treating allergies using substituted pyrazoles BUTLER CHRISTOPHER R (US) 2002-05-09 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 (2 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-20050101587-A9 Method for treating allergies using substituted pyrazoles TSLP, IL33, HRH2 CNR1 1665/4885ENPP2 724/4885NOS1 575/4885
US-20020055497-A1 Method for treating allergies using substituted pyrazoles TSLP, IL33, HRH2 CNR1 1665/4885ENPP2 724/4885NOS1 575/4885

“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.