SCHEMBL1028441

SCHEMBL1028441

CCN(CCN(CC(=O)N(C)N1Cc2cccc(F)c2C1)C(=O)CNc1cc(-c2noc(C)n2)ccc1C)C(=O)OC(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.34
GPR119 Q8TDV5 1/20 0.33
ACKR3 P25106 4/20 0.33
NPY2R P49146 1/20 0.32
MAPT P10636 1/20 0.32
POLB P06746 1/20 0.32
KIT P10721 1/20 0.32
CPT1A P50416 1/20 0.32
THRB P10828 1/20 0.31
BDKRB1 P46663 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31

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
SCHEMBL1028030 0.95 GPR119 (0.33) LMNAGPR119ACKR3NPY2RMAPT
SCHEMBL1028761 0.92 LMNA (0.37) LMNAGPR119ACKR3MAPTPOLB
SCHEMBL1025326 0.91 ACKR3 (0.33) ACKR3BDKRB1
SCHEMBL1197419 0.90 CPT1A (0.36) LMNAGPR119ACKR3NPY2RKIT
SCHEMBL1025908 0.89 LMNA (0.35) LMNAGPR119NPY2RMAPTPOLB
SCHEMBL1029864 0.89 POLB (0.37) LMNAGPR119MAPTPOLBKIT
SCHEMBL1027725 0.87 MAPK14 (0.34) LMNAACKR3MAPTPOLBKIT
SCHEMBL1027816 0.87 GPR119 (0.36) LMNAGPR119ACKR3NPY2RMAPT
SCHEMBL1029093 0.87 GPR119 (0.34) LMNAGPR119MAPTPOLBKIT
Hydrochloric Acid SCHEMBL1026889 0.87 MAPK14 (0.33) LMNAACKR3MAPTPOLBCPT1A

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 5 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
EP-2486925-A1 THERAPEUTIC AGENT FOR CEREBRAL INFARCTION Mitsubishi Tanabe Pharma Corporation (JP) 2012-08-15 EP disclosed
US-20120196824-A1 THERAPEUTIC AGENT FOR CEREBRAL INFARCTION MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-08-02 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 (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-20120196824-A1 THERAPEUTIC AGENT FOR CEREBRAL INFARCTION FABP7, TIMP3, MMP11 LMNA 3028/4885GPR119 644/4885ACKR3 1777/4885
US-20110034440-A1 HOMOCYSTEINE SYNTHASE INHIBITOR BHMT, CBS, BHMT2 LMNA 2551/4885GPR119 2613/4885ACKR3 4604/4885

“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.