SCHEMBL3216409

SCHEMBL3216409

NC(=O)c1ccc(N2CCCN(C(=O)C3CC3)CC2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.63
KMT2A Q03164 2/20 0.63
MEN1 O00255 1/20 0.63
ALDH1A1 P00352 1/20 0.63
TDP1 Q9NUW8 1/20 0.62
CA12 O43570 3/20 0.49
CA1 P00915 3/20 0.49
CA2 P00918 3/20 0.49
CA9 Q16790 3/20 0.49
HRH3 Q9Y5N1 1/20 0.49
GRIN2D O15399 1/20 0.49
GRIN3B O60391 1/20 0.49
F2 P00734 1/20 0.49
PRSS1 P07477 1/20 0.49
PRSS2 P07478 1/20 0.49
PRSS3 P35030 1/20 0.49
GRIN1 Q05586 1/20 0.49
GRIN2A Q12879 1/20 0.49
GRIN2B Q13224 1/20 0.49
GRIN2C Q14957 1/20 0.49

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
Hydrochloric Acid SCHEMBL3205114 0.99 MAPT (0.61) MAPTKMT2AMEN1ALDH1A1TDP1
SCHEMBL3209244 0.95 KMT2A (0.64) MAPTKMT2AMEN1ALDH1A1TDP1
SCHEMBL3637388 0.94 TDP1 (0.69) MAPTKMT2AMEN1ALDH1A1TDP1
SCHEMBL3216413 0.86 TDP1 (0.66) MAPTKMT2AMEN1ALDH1A1TDP1
Hydrochloric Acid SCHEMBL3205122 0.84 TDP1 (0.64) MAPTKMT2AMEN1ALDH1A1TDP1
SCHEMBL1662763 0.81 TDP1 (0.71) MAPTKMT2AMEN1ALDH1A1TDP1
SCHEMBL3209251 0.81 KMT2A (0.59) MAPTKMT2AMEN1ALDH1A1TDP1
SCHEMBL3262311 0.80 TDP1 (0.61) MAPTKMT2AMEN1ALDH1A1TDP1
SCHEMBL4985730 0.79 AKR1C3 (0.64) MAPTALDH1A1TDP1HRH3GRIN2D
SCHEMBL1663638 0.79 TDP1 (0.73) MAPTKMT2AMEN1ALDH1A1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8211884-B2 2,2-Dimethyl-4-oxo-4-(4-{4-[(2-phenyl-5-trifluoromethyl-oxazole-4-carbonyl)-amino]-phenyl}-[1,4]diazepan-1-yl)-butyric acid, hydrochloride; obesity, type II diabetes mellitus and metabolic syndrome MADRIGAL PHARMACEUTICALS, INC. (US) 2012-07-03 US claimed
WO-2010017040-A1 DIACYLGLYCEROL ACYLTRANSFERASE INHIBITORS VIA PHARMACEUTICALS, INC (US) 2010-02-11 WO claimed
US-20100035864-A1 Diacylglycerol Acyltransferase Inhibitors MADRIGAL PHARMACEUTICALS, INC. 2010-02-11 US claimed
US-8211884-B2 2,2-Dimethyl-4-oxo-4-(4-{4-[(2-phenyl-5-trifluoromethyl-oxazole-4-carbonyl)-amino]-phenyl}-[1,4]diazepan-1-yl)-butyric acid, hydrochloride; obesity, type II diabetes mellitus and metabolic syndrome MADRIGAL PHARMACEUTICALS, INC. (US) 2012-07-03 US disclosed
US-20100035864-A1 Diacylglycerol Acyltransferase Inhibitors MADRIGAL PHARMACEUTICALS, INC. 2010-02-11 US 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-20100035864-A1 Diacylglycerol Acyltransferase Inhibitors DGAT2, DGAT1, LCAT MAPT 3688/4885KMT2A 1667/4885MEN1 2767/4885

“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.