SCHEMBL3668526

SCHEMBL3668526

Nc1ccc(C2CCN(C(=O)C3CCC(c4nnn[nH]4)CC3)CC2)cc1

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTR2B P41595 1/20 0.49
DGAT1 O75907 3/20 0.39
NAMPT P43490 10/20 0.39
SMYD3 Q9H7B4 2/20 0.37
SLC18A3 Q16572 1/20 0.36
BACE1 P56817 1/20 0.36

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
SCHEMBL3668525 0.89 HTR2B (0.47) HTR2BDGAT1NAMPT
SCHEMBL3806049 0.85 TDP1 (0.51) NAMPT
SCHEMBL3634211 0.83 SLC18A3 (0.49) HTR2BDGAT1NAMPTSLC18A3BACE1
SCHEMBL3720982 0.78 HTR2B (0.50) HTR2BDGAT1NAMPTSMYD3BACE1
SCHEMBL3303482 0.78 DGAT1 (0.48) HTR2BDGAT1NAMPTSMYD3SLC18A3
SCHEMBL3810068 0.77 SLC18A3 (0.54) HTR2BDGAT1NAMPTSLC18A3
SCHEMBL3304712 0.77 HPGD (0.55) HTR2BSLC18A3
SCHEMBL3637906 0.74 ROCK2 (0.41) DGAT1NAMPTSLC18A3BACE1
SCHEMBL3297763 0.74 HTT (0.53) HTR2BNAMPT
SCHEMBL520567 0.74 NAMPT (0.55) NAMPTSMYD3SLC18A3

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 8 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 claimed
WO-2008141976-A1 DIACYLGLYCEROL ACYLTRANSFERASE INHIBITORS VIA PHARMACEUTICALS, INC. (US) 2008-11-27 WO claimed
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

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 HTR2B 3311/4885DGAT1 2/4885NAMPT 291/4885
US-20090170864-A1 Diacylglycerol Acyltransferase Inhibitors DGAT2, DGAT1, LCAT HTR2B 3311/4885DGAT1 2/4885NAMPT 291/4885
US-20090099201-A1 Diacylglycerol Acyltransferase Inhibitors DGAT2, DGAT1, LCAT HTR2B 3311/4885DGAT1 2/4885NAMPT 291/4885
US-20090105273-A1 Diacylglycerol Acyltransferase Inhibitors DGAT2, DGAT1, LCAT HTR2B 3311/4885DGAT1 2/4885NAMPT 291/4885

“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.