SCHEMBL3635165

SCHEMBL3635165

Nc1ccc(N2CCN(C(=O)[C@@H]3CCCN3)CC2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GFER P55789 2/20 0.52
CASP6 P55212 1/20 0.52
KHK P50053 2/20 0.50
TDP1 Q9NUW8 1/20 0.47
DPP4 P27487 1/20 0.46
DPP8 Q6V1X1 1/20 0.46
DPP9 Q86TI2 1/20 0.46
ALDH1A1 P00352 4/20 0.45
MAPT P10636 4/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
PIK3CD O00329 4/20 0.45
PIK3CA P42336 4/20 0.45
PIK3CB P42338 4/20 0.45
PIK3CG P48736 3/20 0.45
GAA P10253 3/20 0.44
LMNA P02545 2/20 0.44
ALOX12 P18054 2/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44

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
SCHEMBL3631704 1.00 GFER (0.52) GFERCASP6KHKTDP1DPP4
SCHEMBL3631702 0.87 HRH3 (0.49) KHKTDP1DPP4DPP8DPP9
SCHEMBL3634266 0.87 HRH3 (0.49) KHKTDP1DPP4DPP8DPP9
SCHEMBL13362082 0.81 KHK (0.53) KHKDPP4ALDH1A1HRH2HRH1
SCHEMBL21552116 0.79 DPP4 (0.66) KHKDPP4DPP8DPP9ALDH1A1
SCHEMBL11439644 0.79 DPP4 (0.66) KHKDPP4DPP8DPP9ALDH1A1
SCHEMBL189163 0.79 ALDH1A1 (0.69) GFERCASP6TDP1ALDH1A1MAPT
SCHEMBL1663638 0.78 TDP1 (0.73) GFERCASP6TDP1ALDH1A1MAPT
SCHEMBL8230560 0.78 TDP1 (0.60) GFERCASP6KHKTDP1ALDH1A1
SCHEMBL23928661 0.77 MAPT (0.47) KHKALDH1A1MAPTMEN1KMT2A

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2155687-A1 DIACYLGLYCEROL ACYLTRANSFERASE INHIBITORS Via Pharmaceuticals, Inc. (US) 2010-02-24 EP disclosed
US-20090170864-A1 Diacylglycerol Acyltransferase Inhibitors MADRIGAL PHARMACEUTICALS, INC. 2009-07-02 US disclosed
US-20090105273-A1 Diacylglycerol Acyltransferase Inhibitors MADRIGAL PHARMACEUTICALS, INC. 2009-04-23 US disclosed
US-20090099201-A1 Diacylglycerol Acyltransferase Inhibitors VIA PHARMACEUTICALS, INC. 2009-04-16 US disclosed
US-20090093497-A1 Diacylglycerol Acyltransferase Inhibitors MADRIGAL PHARMACEUTICALS, INC. 2009-04-09 US disclosed
WO-2008141976-A1 DIACYLGLYCEROL ACYLTRANSFERASE INHIBITORS VIA PHARMACEUTICALS, INC. (US) 2008-11-27 WO disclosed
WO-2007089768-A2 4-ARYL-2-AMINO-PYRIMIDINES OR 4-ARYL-2-AMINOALKYL-PYRIMIDINES AS JAK-2 MODULATORS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM EXELIXIS, INC. (US) 2007-08-09 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-20090093497-A1 Diacylglycerol Acyltransferase Inhibitors DGAT2, DGAT1, LCAT GFER 1433/4885CASP6 3996/4885KHK 1751/4885
US-20090170864-A1 Diacylglycerol Acyltransferase Inhibitors DGAT2, DGAT1, LCAT GFER 1433/4885CASP6 3996/4885KHK 1751/4885
US-20090099201-A1 Diacylglycerol Acyltransferase Inhibitors DGAT2, DGAT1, LCAT GFER 1433/4885CASP6 3996/4885KHK 1751/4885
US-20090105273-A1 Diacylglycerol Acyltransferase Inhibitors DGAT2, DGAT1, LCAT GFER 1433/4885CASP6 3996/4885KHK 1751/4885

“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.