Sugi Predict

Sugi Predict / Compounds / SCHEMBL3206557

SCHEMBL3206557

SCHEMBL3206557

CC(C)(C)OC(=O)N1CCCN(c2ccc([N+](=O)[O-])cn2)CC1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.63
▸ LMNA P02545 4/20 0.63
▸ PKM P14618 1/20 0.63
▸ MAPT P10636 5/20 0.63
▸ ALOX12 P18054 1/20 0.58
▸ NPSR1 Q6W5P4 1/20 0.58
▸ KDM4E B2RXH2 1/20 0.57
▸ MAPK1 P28482 1/20 0.57
▸ CKS1B P61024 2/20 0.55
▸ SKP1 P63208 2/20 0.55
▸ SKP2 Q13309 2/20 0.55
▸ PANK3 Q9H999 1/20 0.52
▸ GPR119 Q8TDV5 1/20 0.52
▸ MEN1 O00255 4/20 0.51
▸ KMT2A Q03164 4/20 0.51
▸ ATM Q13315 1/20 0.51
▸ CYP1A2 P05177 1/20 0.50
▸ CYP2C9 P11712 1/20 0.50
▸ HPGD P15428 1/20 0.50
▸ POLB P06746 1/20 0.48

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
SCHEMBL594287 0.96 MAPT (0.68) ALDH1A1LMNAPKMMAPTALOX12
SCHEMBL29848257 0.96 MAPT (0.68) ALDH1A1LMNAPKMMAPTALOX12
SCHEMBL23612250 0.89 MAPT (0.60) ALDH1A1LMNAPKMMAPTALOX12
SCHEMBL23612210 0.89 MAPT (0.60) ALDH1A1LMNAPKMMAPTALOX12
SCHEMBL10151470 0.86 MAPT (0.58) ALDH1A1LMNAPKMMAPTALOX12
SCHEMBL23783356 0.86 GPR119 (0.65) ALDH1A1LMNAPKMMAPTALOX12
SCHEMBL31039903 0.86 MAPT (0.56) ALDH1A1LMNAPKMMAPTALOX12
SCHEMBL5229665 0.83 CKS1B (0.60) KDM4ECKS1BSKP1SKP2PANK3
SCHEMBL3203878 0.83 MAPT (0.90) ALDH1A1LMNAMAPTGPR119POLB
SCHEMBL3234060 0.83 MAPT (0.70) ALDH1A1LMNAPKMMAPTALOX12

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 disclosed
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
WO-2010017040-A1 DIACYLGLYCEROL ACYLTRANSFERASE INHIBITORS VIA PHARMACEUTICALS, INC (US) 2010-02-11 — — WO disclosed
US-20100035864-A1 Diacylglycerol Acyltransferase Inhibitors MADRIGAL PHARMACEUTICALS, INC. 2010-02-11 — — 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 ALDH1A1 535/4885LMNA 4456/4885PKM 3373/4885

“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.