SCHEMBL3205309

SCHEMBL3205309

NC(=O)c1[c]ccc(N2CCCN(C(=O)C3CCCCC3)CC2)n1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 1/20 0.52
HCRTR2 O43614 1/20 0.52
GBA1 P04062 1/20 0.48
TSHR P16473 3/20 0.44
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
MAPT P10636 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
MAP4K4 O95819 1/20 0.43
MET P08581 1/20 0.43
ALDH1A1 P00352 2/20 0.42
DGAT1 O75907 1/20 0.42
LMNA P02545 1/20 0.41
MAPK1 P28482 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
DGAT2 Q96PD7 4/20 0.40
CKS1B P61024 1/20 0.40
SKP1 P63208 1/20 0.40
SKP2 Q13309 1/20 0.40
SYK P43405 1/20 0.39

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
SCHEMBL2783568 0.97 GBA1 (0.48) HCRTR1HCRTR2GBA1TSHRKMT2A
SCHEMBL3216446 0.95 HCRTR1 (0.46) HCRTR1HCRTR2GBA1TSHRKMT2A
SCHEMBL3665112 0.91 CKS1B (0.47) HCRTR1HCRTR2GBA1KMT2AMEN1
SCHEMBL3634174 0.84 CKS1B (0.38) HCRTR1HCRTR2GBA1KMT2AMEN1
SCHEMBL3810632 0.83 CKS1B (0.37) GBA1KMT2AMEN1MAPTMAP4K4
SCHEMBL2744801 0.82 PARP1 (0.47) TSHRKMT2AMEN1MAPTMAP4K4
SCHEMBL4965500 0.80 PARP1 (0.46) TSHRKMT2AMEN1MAPTMAP4K4
SCHEMBL2828055 0.79 HRH3 (0.50) HRH3
SCHEMBL3213765 0.78 HRH3 (0.55) HCRTR1HCRTR2GBA1KMT2AMEN1
SCHEMBL3668358 0.77 MAP4K4 (0.47) GBA1KMT2AMEN1MAPTMAP4K4

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 2 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-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 HCRTR1 4296/4885HCRTR2 3862/4885GBA1 360/4885

“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.