SCHEMBL1026318

SCHEMBL1026318

COc1ccccc1CCN(C(=O)O)C(C)(C)C

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 1/20 0.53
MTNR1A P48039 1/20 0.49
MTNR1B P49286 1/20 0.49
TAAR1 Q96RJ0 3/20 0.46
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
CRHBP P24387 1/20 0.44
CRHR2 Q13324 1/20 0.44
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C19 P33261 1/20 0.43
SIGMAR1 Q99720 1/20 0.43
TSHR P16473 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
BCHE P06276 1/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42

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
SCHEMBL1845830 0.85 MEN1 (0.52) MTNR1AMTNR1BMEN1KMT2ACRHBP
SCHEMBL23925502 0.80 AOC3 (0.61) AOC3MTNR1AMTNR1BTAAR1MEN1
SCHEMBL1027707 0.80 KMT2A (0.45) TAAR1MEN1KMT2ATSHRNPC1
SCHEMBL1690653 0.79 MEN1 (0.44) TAAR1MEN1KMT2ACYP1A2CYP3A4
SCHEMBL1181110 0.79 TAAR1 (0.53) AOC3TAAR1MEN1KMT2ANPC1
SCHEMBL21247482 0.76 KMT2A (0.63) AOC3TAAR1MEN1KMT2ANPC1
SCHEMBL2290451 0.75 CYP3A4 (0.56) AOC3MEN1KMT2ACYP1A2CYP3A4
SCHEMBL16754737 0.75 HDAC8 (0.53) KMT2ACYP1A2CYP3A4NPC1ALDH1A1
SCHEMBL3754466 0.74 L3MBTL1 (0.36) MEN1KMT2ACYP1A2CYP2D6CYP2C19
SCHEMBL6272891 0.74 AOC3 (0.61) AOC3MTNR1AMTNR1BTAAR1MEN1

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-8513235-B2 Homocysteine synthase inhibitor MITSUBISHI TANABE PHARMA CORPORATION (JP) 2013-08-20 US disclosed
US-20110034440-A1 HOMOCYSTEINE SYNTHASE INHIBITOR MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-02-10 US disclosed
EP-2275404-A1 HOMOCYSTEINE SYNTHASE INHIBITOR Mitsubishi Tanabe Pharma Corporation (JP) 2011-01-19 EP 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-20110034440-A1 HOMOCYSTEINE SYNTHASE INHIBITOR BHMT, CBS, BHMT2 AOC3 2791/4885MTNR1A 1824/4885MTNR1B 2058/4885

“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.