SCHEMBL9940249

SCHEMBL9940249

COC(=O)C(C)(C)COc1ccc(-c2ccc(-c3nc(C(F)(F)F)cn3Cc3ccccc3)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 11/20 0.55
P2RX7 Q99572 3/20 0.42
SDHB P21912 1/20 0.38
SERPINE1 P05121 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
TP53 P04637 1/20 0.38
MAPT P10636 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
BRD4 O60885 1/20 0.37
USP1 O94782 1/20 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
SCHEMBL9940251 0.91 DGAT1 (0.55) DGAT1P2RX7SERPINE1
SCHEMBL16660865 0.84 DGAT1 (0.66) DGAT1
SCHEMBL29194233 0.80 DRD2 (0.47) DGAT1P2RX7SDHBNPC1RAB9A
SCHEMBL7469586 0.75 PTGS2 (0.46) SDHBRAB9ASMN1; SMN2BRD4USP1
SCHEMBL9940133 0.74 DGAT1 (0.79) DGAT1
SCHEMBL20169336 0.74 DGAT1 (0.63) DGAT1
SCHEMBL9936473 0.73 DGAT1 (0.65) DGAT1
SCHEMBL15282810 0.73 DGAT1 (0.67) DGAT1
SCHEMBL20169319 0.73 DGAT1 (0.51) DGAT1
SCHEMBL20169345 0.73 DGAT1 (0.53) 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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9975871-B2 Continuous arycyclic compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2018-05-22 US disclosed
US-9975871-B2 Continuous arycyclic compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2018-05-22 US disclosed
US-9975871-B2 Continuous arycyclic compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2018-05-22 US disclosed
US-20160272614-A1 CONTINUOUS ARYCYCLIC COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2016-09-22 US disclosed
US-20160272614-A1 CONTINUOUS ARYCYCLIC COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2016-09-22 US disclosed
US-20160272614-A1 CONTINUOUS ARYCYCLIC COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2016-09-22 US disclosed
EP-2651915-B1 CONTINUOUS ARYCYCLIC COMPOUND MITSUBISHI TANABE PHARMA CORP (JP) 2016-05-25 EP disclosed
EP-2651915-B1 CONTINUOUS ARYCYCLIC COMPOUND MITSUBISHI TANABE PHARMA CORP (JP) 2016-05-25 EP disclosed
US-9302996-B2 Continuous arycyclic compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2016-04-05 US disclosed
US-9302996-B2 Continuous arycyclic compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2016-04-05 US disclosed
US-9302996-B2 Continuous arycyclic compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2016-04-05 US disclosed
EP-2651915-A1 CONTINUOUS ARYCYCLIC COMPOUND Mitsubishi Tanabe Pharma Corporation (JP) 2013-10-23 EP disclosed
US-20130261128-A1 CONTINUOUS ARYCYCLIC COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2013-10-03 US disclosed
US-20130261128-A1 CONTINUOUS ARYCYCLIC COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2013-10-03 US disclosed
US-20130261128-A1 CONTINUOUS ARYCYCLIC COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2013-10-03 US disclosed
WO-2012081736-A1 CONTINUOUS ARYCYCLIC COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-06-21 WO disclosed
WO-2012081736-A1 CONTINUOUS ARYCYCLIC COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-06-21 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 (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-20130261128-A1 CONTINUOUS ARYCYCLIC COMPOUND DGAT1, DGAT2, SOAT1 DGAT1 1/4885P2RX7 4489/4885SDHB 3586/4885
US-20160272614-A1 CONTINUOUS ARYCYCLIC COMPOUND DGAT1, DGAT2, SOAT1 DGAT1 1/4885P2RX7 4489/4885SDHB 3586/4885

“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.