SCHEMBL161041

SCHEMBL161041

COC(=O)C(C)(C)CCc1ncc(-c2ccc(NC(=O)N3CCN(C)CC3)cc2)s1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 3/20 0.41
KDM4E B2RXH2 2/20 0.40
HRH3 Q9Y5N1 1/20 0.39
MAPT P10636 2/20 0.39
HDAC3 O15379 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
ABL1 P00519 1/20 0.38
POLB P06746 1/20 0.38
RIN1 Q13671 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
MKNK1 Q9BUB5 1/20 0.38
FLT4 P35916 1/20 0.38
BTK Q06187 1/20 0.38
MELK Q14680 1/20 0.38
MINK1 Q8N4C8 1/20 0.38
LIMK1 P53667 1/20 0.38
LIMK2 P53671 1/20 0.38
GSK3B P49841 2/20 0.37
DYRK1A Q13627 2/20 0.37

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
SCHEMBL163354 0.92 SMN1; SMN2 (0.45) ALDH1A1SMN1; SMN2
SCHEMBL162592 0.90 BLM (0.47) MAPTALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL161862 0.90 KDM4E (0.44) ATMKDM4EMAPTHDAC3HDAC1
SCHEMBL163377 0.88 DGAT1 (0.39) HDAC3HDAC1HDAC2ALDH1A1
SCHEMBL165730 0.86 NAMPT (0.45) MAPTNAMPTALDH1A1SMN1; SMN2
SCHEMBL162335 0.82 RAB9A (0.44) ALDH1A1SMN1; SMN2
SCHEMBL162111 0.80 RAB9A (0.46) MAPTALDH1A1SMN1; SMN2
SCHEMBL162311 0.80 MEN1 (0.46) ATMMAPTPOLB
SCHEMBL164809 0.80 MAPT (0.42) MAPTABL1KITKDRSMN1; SMN2
SCHEMBL161205 0.80 MAPT (0.46) KDM4EMAPTPOLBALDH1A1SMN1; SMN2

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 ATM 3556/4885KDM4E 4508/4885HRH3 3032/4885

“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.