SCHEMBL2970649

SCHEMBL2970649

C[Si](C)(C)CCOCn1ccnc1CC(N)=O

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.36
DGAT1 O75907 6/20 0.33
KLKB1 P03952 1/20 0.32
TBXAS1 P24557 1/20 0.32
MAPT P10636 1/20 0.31
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL2647731 0.81 DGAT1 (0.36) NPC1DGAT1KLKB1ALDH1A1
SCHEMBL1793474 0.81 DGAT1 (0.38) NPC1DGAT1
SCHEMBL2984964 0.81 DGAT1 (0.36) DGAT1MAPT
SCHEMBL3313603 0.81 NPC1 (0.40) NPC1DGAT1KLKB1MAPT
Hydrochloric Acid SCHEMBL928416 0.80 DGAT1 (0.38) DGAT1
Hydrochloric Acid SCHEMBL4213606 0.80 DGAT1 (0.35) DGAT1MAPT
SCHEMBL1792504 0.80 DGAT1 (0.35) DGAT1
Hydrochloric Acid SCHEMBL28185498 0.80 DGAT1 (0.38) DGAT1
Hydrochloric Acid SCHEMBL27463696 0.80 DGAT1 (0.35) DGAT1MAPT
SCHEMBL6747810 0.80 FPR2 (0.37) NPC1DGAT1KLKB1MAPT

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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7786135-B2 Substituted pyrroline kinase inhibitors JANSSEN PHARMACEUTICA, N.V. (BE) 2010-08-31 US disclosed
US-7786135-B2 Substituted pyrroline kinase inhibitors JANSSEN PHARMACEUTICA, N.V. (BE) 2010-08-31 US disclosed
US-7786135-B2 Substituted pyrroline kinase inhibitors JANSSEN PHARMACEUTICA, N.V. (BE) 2010-08-31 US disclosed
US-7781450-B2 Substituted pyrroline kinase inhibitors JANSSEN PHARMACEUTICA N.V. (BE) 2010-08-24 US disclosed
US-7781450-B2 Substituted pyrroline kinase inhibitors JANSSEN PHARMACEUTICA N.V. (BE) 2010-08-24 US disclosed
US-7781450-B2 Substituted pyrroline kinase inhibitors JANSSEN PHARMACEUTICA N.V. (BE) 2010-08-24 US disclosed
US-7705015-B2 Substituted pyrroline kinase inhibitors JANSSEN PHARMACEUTICA, NV (BE) 2010-04-27 US disclosed
US-7705015-B2 Substituted pyrroline kinase inhibitors JANSSEN PHARMACEUTICA, NV (BE) 2010-04-27 US disclosed
US-7705015-B2 Substituted pyrroline kinase inhibitors JANSSEN PHARMACEUTICA, NV (BE) 2010-04-27 US disclosed
US-20090181982-A1 SUBSTITUTED PYRROLINE KINASE INHIBITORS ZHANG HAN-CHENG 2009-07-16 US disclosed
EP-1900738-A2 Substituted pyrroline kinase inhibitors Janssen Pharmaceutica, N.V. (BE) 2008-03-19 EP disclosed
EP-1900738-A2 Substituted pyrroline kinase inhibitors Janssen Pharmaceutica, N.V. (BE) 2008-03-19 EP disclosed
EP-1506192-B1 SUBSTITUTED PYRROLINE KINASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2008-02-27 EP disclosed
EP-1506192-B1 SUBSTITUTED PYRROLINE KINASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2008-02-27 EP disclosed
US-7125878-B2 Substituted pyrroline kinase inhibitors JANSSEN PHARMACEUTICA (BE) 2006-10-24 US disclosed
US-20060205763-A1 Substituted pyrroline kinase inhibitors JANSSEN PHARMACEUTICA, N.V. (BE) 2006-09-14 US disclosed
US-20060205762-A1 Substituted pyrroline kinase inhibitors JANSSEN PHARMACEUTICA, N.V. (BE) 2006-09-14 US disclosed
EP-1506192-A1 SUBSTITUTED PYRROLINE KINASE INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2005-02-16 EP disclosed
US-20040006095-A1 Substituted pyrroline kinase inhibitors JANSSEN PHARMAECUTICA, NV (BE) 2004-01-08 US disclosed
WO-2003095452-A1 SUBSTITUTED PYRROLINE KINASE INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2003-11-20 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 (4 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-20060205762-A1 Substituted pyrroline kinase inhibitors PRKDC, PRKACA, MAP3K20 NPC1 2755/4885DGAT1 2934/4885KLKB1 1643/4885
US-20040006095-A1 Substituted pyrroline kinase inhibitors PRKDC, PRKACA, MAP3K20 NPC1 2755/4885DGAT1 2934/4885KLKB1 1643/4885
US-20090181982-A1 SUBSTITUTED PYRROLINE KINASE INHIBITORS PRKDC, PRKACA, MAP3K20 NPC1 2755/4885DGAT1 2934/4885KLKB1 1643/4885
US-20060205763-A1 Substituted pyrroline kinase inhibitors PRKDC, PRKACA, MAP3K20 NPC1 2755/4885DGAT1 2934/4885KLKB1 1643/4885

“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.