SCHEMBL3213765

SCHEMBL3213765

NC(=O)c1ccc(N2CCCN(C(=O)C3CCCCC3)CC2)nc1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 10/20 0.55
OPRM1 P35372 1/20 0.53
OPRK1 P41145 1/20 0.53
HCRTR1 O43613 1/20 0.52
HCRTR2 O43614 1/20 0.52
GBA1 P04062 1/20 0.48
UBE2T Q9NPD8 1/20 0.48
DGAT1 O75907 1/20 0.48
ALDH1A1 P00352 2/20 0.47
KDM4E B2RXH2 1/20 0.47
POLB P06746 1/20 0.47
HPGD P15428 1/20 0.47
ALOX15 P16050 1/20 0.47
HSD17B10 Q99714 1/20 0.47
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.46
MAPT P10636 1/20 0.46
KDM1A O60341 1/20 0.46

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
SCHEMBL3205314 0.85 HCRTR1 (0.54) HCRTR1HCRTR2GBA1DGAT1ALDH1A1
SCHEMBL3209244 0.83 KMT2A (0.64) HRH3HCRTR1HCRTR2ALDH1A1POLB
SCHEMBL27739969 0.82 UBE2T (0.69) HRH3OPRM1OPRK1UBE2TALDH1A1
SCHEMBL29074197 0.82 UBE2T (0.69) HRH3OPRM1OPRK1UBE2TALDH1A1
SCHEMBL30415822 0.82 UBE2T (0.69) HRH3OPRM1OPRK1UBE2TALDH1A1
SCHEMBL2783570 0.81 TSHR (0.51) HCRTR1HCRTR2GBA1DGAT1ALDH1A1
Hydrochloric Acid SCHEMBL5008434 0.80 UBE2T (0.67) HRH3OPRM1OPRK1UBE2TALDH1A1
SCHEMBL29475033 0.80 UBE2T (0.71) HRH3OPRM1OPRK1UBE2TALDH1A1
SCHEMBL30289763 0.80 UBE2T (0.71) HRH3OPRM1OPRK1UBE2TALDH1A1
SCHEMBL3216450 0.80 MAP4K4 (0.49) HCRTR1HCRTR2GBA1DGAT1ALDH1A1

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 3 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
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

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 HRH3 4401/4885OPRM1 4337/4885OPRK1 4214/4885

“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.