SCHEMBL2636624

SCHEMBL2636624

CC(=O)C1(c2ccccc2)CCN(C(=O)O)CC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.59
CA1 P00915 1/20 0.59
CA2 P00918 1/20 0.59
CA7 P43166 1/20 0.59
CA9 Q16790 1/20 0.59
CA14 Q9ULX7 1/20 0.59
KMT2A Q03164 4/20 0.53
TET3 O43151 1/20 0.53
FBXL19 Q6PCT2 1/20 0.53
CXXC5 Q7LFL8 1/20 0.53
TET1 Q8NFU7 1/20 0.53
KDM2B Q8NHM5 1/20 0.53
CXXC4 Q9H2H0 1/20 0.53
KDM2A Q9Y2K7 1/20 0.53
OPRD1 P41143 4/20 0.52
HSD11B1 P28845 4/20 0.51
MEN1 O00255 2/20 0.49
RAB9A P51151 1/20 0.47
OPRM1 P35372 5/20 0.47
OPRK1 P41145 3/20 0.47

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
SCHEMBL13774957 0.90 CA12 (0.59) CA12CA1CA2CA7CA9
SCHEMBL23779147 0.86 KMT2A (0.69) KMT2ATET3FBXL19CXXC5TET1
SCHEMBL8324812 0.84 OPRM1 (0.63) CA12CA1CA2CA7CA9
SCHEMBL3543988 0.84 CA12 (0.54) CA12CA1CA2CA7CA9
SCHEMBL18068774 0.84 OPRM1 (0.62) CA12CA1CA2CA7CA9
SCHEMBL890180 0.83 AKR1C1 (0.57) CA12CA1CA2CA7CA9
SCHEMBL5172596 0.83 KMT2A (0.53) CA12CA1CA2CA7CA9
SCHEMBL1309812 0.82 SLC18A3 (0.60) KMT2ATET3FBXL19CXXC5TET1
SCHEMBL6032506 0.82 CA12 (0.55) CA12CA1CA2CA7CA9
SCHEMBL8162122 0.81 CA12 (0.71) CA12CA1CA2CA7CA9

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-7968550-B2 Substituted N-aryl heterocycles, process for their preparation and their use as medicaments AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2011-06-28 US disclosed
US-20070207991-A1 Substituted N-aryl Heterocycles, Process For Their Preparation and Their Use As Medicaments SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-09-06 US disclosed
US-7223788-B2 therapy for eating disorders, anorexigenic agents, antidiabetic agents, reducing weight in mammals, circadian rhythm disease, psychological disorders SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-05-29 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-20070207991-A1 Substituted N-aryl Heterocycles, Process For Their Preparation and Their Use As Medicaments CYP11B2, CYP11B1, NQO1 CA12 2612/4885CA1 1664/4885CA2 1000/4885

“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.