SCHEMBL170873

SCHEMBL170873

O=C(Nc1ccc(-c2cnc(C3CCC(C(=O)O)CC3)s2)cc1)Nc1ccc(Cl)cc1C(F)(F)F

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 13/20 0.51
CNR1 P21554 1/20 0.43
CSF1R P07333 1/20 0.40
TRPV1 Q8NER1 1/20 0.40
ALDH1A1 P00352 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
NTRK1 P04629 1/20 0.39

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
SCHEMBL164820 0.91 HTR2A (0.43) DGAT1CNR1CSF1RHTR2AHTR2C
SCHEMBL162780 0.89 DGAT1 (0.61) DGAT1CNR1SMN1; SMN2
SCHEMBL159539 0.88 DGAT1 (0.57) DGAT1CSF1RTRPV1ALDH1A1
SCHEMBL15022225 0.88 NTRK1 (0.41) DGAT1CNR1CSF1RTRPV1ALDH1A1
SCHEMBL162826 0.86 DGAT1 (0.55) DGAT1CSF1RTRPV1NTRK1
SCHEMBL161415 0.86 DGAT1 (0.58) DGAT1CNR1SMN1; SMN2
SCHEMBL162338 0.86 DGAT1 (0.54) DGAT1CNR1TRPV1
SCHEMBL174099 0.85 DGAT1 (0.53) DGAT1CNR1CSF1RTRPV1
SCHEMBL161374 0.84 DGAT1 (0.58) DGAT1CNR1ALDH1A1
SCHEMBL163541 0.83 DGAT1 (0.61) DGAT1CNR1

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-20130158075-A1 HETEROCYCLIC COMPOUNDS AS DGAT1 INHIBITORS Piramal Enterprises Limited (IN) 2013-06-20 US 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 1/4885CNR1 946/4885CSF1R 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.