SCHEMBL700845

SCHEMBL700845

O=C(O)C1CCC(C(=O)N2CCCCC2)CC1

nearest known ligand 0.83

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.83
ALDH1A1 P00352 3/20 0.61
TSHR P16473 3/20 0.61
HTT P42858 1/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
CHRNB2 P17787 1/20 0.52
CHRNA3 P32297 1/20 0.52
CHRNA4 P43681 1/20 0.52
CHRNB3 Q05901 1/20 0.52
CHRNA6 Q15825 1/20 0.52
LMNA P02545 1/20 0.52
NPC1 O15118 1/20 0.49
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
HSD11B1 P28845 2/20 0.47
GRM5 P41594 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
SCHEMBL700843 1.00 HPGD (0.83) HPGDALDH1A1TSHRHTTSMN1; SMN2
SCHEMBL2946268 0.98 HPGD (0.78) HPGDALDH1A1TSHRHTTSMN1; SMN2
SCHEMBL2946264 0.98 HPGD (0.78) HPGDALDH1A1TSHRHTTSMN1; SMN2
SCHEMBL20186941 0.91 HPGD (1.00) HPGDALDH1A1TSHRHTTSMN1; SMN2
SCHEMBL16992039 0.91 HPGD (1.00) HPGDALDH1A1TSHRHTTSMN1; SMN2
SCHEMBL19612780 0.91 HPGD (1.00) HPGDALDH1A1TSHRHTTSMN1; SMN2
SCHEMBL3504308 0.91 HPGD (1.00) HPGDALDH1A1TSHRHTTSMN1; SMN2
SCHEMBL18228450 0.91 HPGD (1.00) HPGDALDH1A1TSHRHTTSMN1; SMN2
SCHEMBL806748 0.89 HPGD (0.95) HPGDALDH1A1TSHRHTTSMN1; SMN2
SCHEMBL19658219 0.89 HPGD (0.95) HPGDALDH1A1TSHRHTTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8124766-B2 Inhibitors of diacylglycerol acyltransferase MADRIGAL PHARMACEUTICALS, INC. (US) 2012-02-28 US claimed
CN-102239165-A Inhibitors of diacylglycerol acyltransferase VIA PHARMACEUTICALS INC 2011-11-09 CN claimed
EP-2367817-A1 INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE Via Pharmaceuticals, Inc. (US) 2011-09-28 EP claimed
WO-2010065310-A1 INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE VIA PHARMACEUTICALS, INC (US) 2010-06-10 WO claimed
US-20100145047-A1 INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE MADRIGAL PHARMACEUTICALS, INC. 2010-06-10 US claimed
US-8124766-B2 Inhibitors of diacylglycerol acyltransferase MADRIGAL PHARMACEUTICALS, INC. (US) 2012-02-28 US disclosed
CN-102239165-A Inhibitors of diacylglycerol acyltransferase VIA PHARMACEUTICALS INC 2011-11-09 CN disclosed
EP-2367817-A1 INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE Via Pharmaceuticals, Inc. (US) 2011-09-28 EP disclosed
WO-2010065310-A1 INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE VIA PHARMACEUTICALS, INC (US) 2010-06-10 WO disclosed
US-20100145047-A1 INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE MADRIGAL PHARMACEUTICALS, INC. 2010-06-10 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-20100145047-A1 INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE DGAT2, DGAT1, LCAT HPGD 818/4885ALDH1A1 586/4885TSHR 2157/4885

“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.