SCHEMBL1028626

SCHEMBL1028626

CC(=O)N1CCC(N(C)C(=O)CN(CCNC(C)C)C(=O)CNc2cc(-c3noc(C)n3)ccc2C)CC1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 2/20 0.38
GPR119 Q8TDV5 2/20 0.38
KCNH2 Q12809 1/20 0.38
MAPK14 Q16539 2/20 0.37
HTR1D P28221 1/20 0.36
HTR1B P28222 1/20 0.36
HTR2A P28223 1/20 0.36
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
POLB P06746 1/20 0.35
LMNA P02545 2/20 0.35
THRB P10828 1/20 0.35
MAPT P10636 2/20 0.34
SMYD3 Q9H7B4 1/20 0.33
ACKR3 P25106 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
Hydrochloric Acid SCHEMBL1028963 0.99 HDAC4 (0.38) HDAC4GPR119KCNH2MAPK14HTR1D
Hydrochloric Acid SCHEMBL1026123 0.93 GPR119 (0.39) HDAC4GPR119KCNH2MAPK14HTR1D
SCHEMBL1024838 0.84 HTR1D (0.41) GPR119MAPK14HTR1DHTR1BHTR2A
Hydrochloric Acid SCHEMBL1025903 0.84 POLB (0.36) MAPK14HTR1DHTR1BHTR2APOLB
Hydrochloric Acid SCHEMBL1025642 0.84 HTR1D (0.41) GPR119MAPK14HTR1DHTR1BHTR2A
Hydrochloric Acid SCHEMBL1028178 0.83 MAPK14 (0.34) MAPK14HTR1DHTR1BHTR2ALMNA
Hydrochloric Acid SCHEMBL1029353 0.83 MAPK14 (0.34) HDAC4MAPK14HTR1DHTR1BHTR2A
Hydrochloric Acid SCHEMBL1026438 0.83 AHCY (0.37) GPR119KCNH2MAPK14HTR1DHTR1B
SCHEMBL1024361 0.82 MAPK14 (0.37) MAPK14HTR1DHTR1BHTR2ALMNA
Hydrochloric Acid SCHEMBL1027389 0.82 HTR1D (0.37) GPR119MAPK14HTR1DHTR1BHTR2A

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 4 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-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 HDAC4 587/4885GPR119 644/4885KCNH2 3079/4885
US-20110034440-A1 HOMOCYSTEINE SYNTHASE INHIBITOR BHMT, CBS, BHMT2 HDAC4 3342/4885GPR119 2613/4885KCNH2 3827/4885

“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.