SCHEMBL4229695

SCHEMBL4229695

COC(=O)C1(CC(=O)c2ccccc2-c2ccc(N)cc2)CCOCC1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 4/20 0.38
SLC6A4 P31645 3/20 0.38
P2RX7 Q99572 2/20 0.36
KCNA3 P22001 1/20 0.35
ITGA4 P13612 2/20 0.35
ITGB7 P26010 2/20 0.35
ITGB1 P05556 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
ALDH1A1 P00352 1/20 0.34
SLC6A2 P23975 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
PKM P14618 1/20 0.34
CYP2C19 P33261 1/20 0.34
BDKRB1 P46663 1/20 0.33

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
SCHEMBL1747950 0.83 CD274 (0.42) L3MBTL1CYP3A4CYP2C9PKMCYP2C19
SCHEMBL1747957 0.72 POLB (0.42) CYP3A4
SCHEMBL1854430 0.70 SLC6A3 (0.71) SLC6A3SLC6A4ALDH1A1SLC6A2CYP2C9
SCHEMBL28693105 0.70 BCAT2 (0.46) SLC6A3SLC6A4L3MBTL1ALDH1A1
SCHEMBL1747924 0.69 ALDH1A1 (0.43) L3MBTL1ALDH1A1CYP3A4CYP2C9PKM
SCHEMBL1748194 0.68 MMP8 (0.44) SLC6A3L3MBTL1
SCHEMBL4220123 0.68 KMT2A (0.47) SLC6A3SLC6A4SLC6A2
SCHEMBL1747956 0.67 CYP2C19 (0.41) L3MBTL1ALDH1A1CYP3A4CYP2C9PKM
SCHEMBL3904681 0.67 HDAC1 (0.52) ALDH1A1CYP3A4CYP2C9PKMCYP2C19
SCHEMBL2028459 0.66 CYP4F2 (0.43) L3MBTL1ALDH1A1CYP3A4CYP2C9PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090215780-A1 Preparation and Use of Aryl Alkyl Acid Derivatives for the Treatment of Obesity BAYER PHARMACEUTICALS CORPORATION (US) 2009-08-27 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-20090215780-A1 Preparation and Use of Aryl Alkyl Acid Derivatives for the Treatment of Obesity FABP4, GPR119, LIPC SLC6A3 1440/4885SLC6A4 2156/4885P2RX7 906/4885

“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.