SCHEMBL162840

SCHEMBL162840

O=C(Nc1ccc(-c2cnc(C3CCC(C(=O)O)CC3)s2)cc1)c1ccccc1Cl

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 4/20 0.55
SMO Q99835 13/20 0.54
CSF1R P07333 1/20 0.49
LMNA P02545 1/20 0.47
TP53 P04637 1/20 0.47
GAA P10253 1/20 0.47
TSHR P16473 1/20 0.47
PTBP1 P26599 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
GRM4 Q14833 1/20 0.46
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.46
CYP1A2 P05177 1/20 0.46
HPGD P15428 1/20 0.46
CYP2C19 P33261 1/20 0.46
KMT2A Q03164 1/20 0.46

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
SCHEMBL162147 0.89 SMO (0.48) DGAT1SMOCSF1RLMNATP53
SCHEMBL161973 0.85 DGAT1 (0.69) DGAT1
SCHEMBL161895 0.85 DGAT1 (0.72) DGAT1LMNAGAASMN1; SMN2MEN1
SCHEMBL174323 0.84 DGAT1 (0.57) DGAT1CSF1RSMN1; SMN2ALDH1A1
SCHEMBL161415 0.83 DGAT1 (0.58) DGAT1SMN1; SMN2MEN1KMT2A
SCHEMBL165052 0.82 DGAT1 (0.55) DGAT1
SCHEMBL161374 0.81 DGAT1 (0.58) DGAT1LMNAMEN1ALDH1A1KMT2A
SCHEMBL163679 0.81 DGAT1 (0.61) DGAT1CSF1RLMNAGAAMEN1
SCHEMBL162444 0.81 TUBB4A (0.55) DGAT1SMOTP53GAASMN1; SMN2
SCHEMBL159426 0.80 DGAT1 (0.59) DGAT1

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 DGAT1 1/4885SMO 3325/4885CSF1R 2409/4885

“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.