SCHEMBL163373

SCHEMBL163373

CC(C)(CCc1ncc(-c2ccc(NC(=O)NCCN3CCCCC3)cc2)s1)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.50
POLB P06746 1/20 0.50
KMT2A Q03164 1/20 0.50
HTR3A P46098 2/20 0.47
CNR1 P21554 1/20 0.47
CHRNA7 P36544 2/20 0.47
ADRA2A P08913 1/20 0.44
ADRA2B P18089 1/20 0.44
KCNH2 Q12809 1/20 0.44
HTR4 Q13639 1/20 0.44
PRMT3 O60678 1/20 0.44
MAPT P10636 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
SCHEMBL162311 0.91 MEN1 (0.46) MEN1POLBKMT2AHTR3ACNR1
SCHEMBL162335 0.83 RAB9A (0.44) MEN1KMT2A
SCHEMBL162199 0.83 ALDH1A1 (0.42) MEN1POLBKMT2ACNR1MAPT
SCHEMBL162878 0.81 EPHX1 (0.49)
SCHEMBL161969 0.80 NAMPT (0.53) MEN1KMT2AMAPT
SCHEMBL174042 0.78 CNR1 (0.43) MEN1KMT2ACNR1
Hydrochloric Acid SCHEMBL161862 0.78 KDM4E (0.44) MAPT
SCHEMBL162024 0.78 MAPT (0.46) MEN1POLBKMT2ACNR1MAPT
SCHEMBL161878 0.77 DGAT1 (0.52) CNR1MAPT
SCHEMBL162111 0.76 RAB9A (0.46) MEN1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2611783-A2 HETEROCYCLIC COMPOUNDS AS DGAT1 INHIBITORS Piramal Enterprises Limited (IN) 2013-07-10 EP claimed
US-20130158075-A1 HETEROCYCLIC COMPOUNDS AS DGAT1 INHIBITORS Piramal Enterprises Limited (IN) 2013-06-20 US claimed
WO-2012029032-A2 HETEROCYCLIC COMPOUNDS AS DGAT1 INHIBITORS PIRAMAL LIFE SCIENCES LIMITED (IN) 2012-03-08 WO claimed
EP-2611783-A2 HETEROCYCLIC COMPOUNDS AS DGAT1 INHIBITORS Piramal Enterprises Limited (IN) 2013-07-10 EP disclosed
US-20130158075-A1 HETEROCYCLIC COMPOUNDS AS DGAT1 INHIBITORS Piramal Enterprises Limited (IN) 2013-06-20 US disclosed
WO-2012029032-A2 HETEROCYCLIC COMPOUNDS AS DGAT1 INHIBITORS PIRAMAL LIFE SCIENCES LIMITED (IN) 2012-03-08 WO 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-20130158075-A1 HETEROCYCLIC COMPOUNDS AS DGAT1 INHIBITORS DGAT1, DGAT2, SOAT1 MEN1 2803/4885POLB 2522/4885KMT2A 2187/4885

“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.