SCHEMBL3312332

SCHEMBL3312332

CCOC(=O)c1ccc(N2CCN(c3ccc(C(=O)Nc4ccc5c(c4)CCC5)cc3)CC2)nc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 2/20 0.54
P2RY12 Q9H244 1/20 0.54
RAB9A P51151 7/20 0.51
MAPT P10636 5/20 0.51
SMN1; SMN2 Q16637 4/20 0.51
ALDH1A1 P00352 3/20 0.51
NPC1 O15118 3/20 0.51
NFKB1 P19838 2/20 0.51
NFKB2 Q00653 2/20 0.51
RELA Q04206 2/20 0.51
L3MBTL1 Q9Y468 1/20 0.50
KMT2A Q03164 6/20 0.49
MEN1 O00255 4/20 0.49
HSD17B10 Q99714 2/20 0.48
ALOX15 P16050 1/20 0.48
CYP1A2 P05177 1/20 0.47
CYP2C19 P33261 1/20 0.47
LMNA P02545 1/20 0.47
CSF1R P07333 1/20 0.46
KDM4E B2RXH2 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
SCHEMBL2306252 0.86 SLC2A1 (0.63) SLC2A1RAB9AMAPTSMN1; SMN2ALDH1A1
SCHEMBL2302298 0.81 P2RY12 (0.53) P2RY12RAB9AMAPTALDH1A1NPC1
SCHEMBL2303707 0.81 P2RY12 (0.52) P2RY12RAB9AMAPTSMN1; SMN2ALDH1A1
SCHEMBL2302973 0.80 P2RY12 (0.51) P2RY12RAB9AMAPTSMN1; SMN2ALDH1A1
SCHEMBL2304887 0.78 P2RY12 (0.55) P2RY12RAB9AMAPTSMN1; SMN2ALDH1A1
SCHEMBL2356889 0.78 P2RY12 (0.49) P2RY12RAB9AMAPTSMN1; SMN2ALDH1A1
SCHEMBL2302633 0.76 P2RY12 (0.51) P2RY12RAB9AMAPTALDH1A1NPC1
SCHEMBL6584014 0.76 KMT2A (0.75) P2RY12RAB9AMAPTALDH1A1NPC1
SCHEMBL2302433 0.76 SLC2A1 (0.71) SLC2A1RAB9AMAPTSMN1; SMN2ALDH1A1
SCHEMBL9210857 0.75 P2RY12 (0.65) P2RY12RAB9AMAPTSMN1; SMN2ALDH1A1

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
EP-2350311-B1 DIACYLGLYCEROL ACYLTRANSFERASE INHIBITORS MADRIGAL PHARMACEUTICALS INC (US) 2013-12-25 EP disclosed
US-8324385-B2 Diacylglycerol acyltransferase inhibitors MADRIGAL PHARMACEUTICALS, INC. (US) 2012-12-04 US disclosed
US-20100113782-A1 Diacylglycerol Acyltransferase Inhibitors MADRIGAL PHARMACEUTICALS, INC. 2010-05-06 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-20100113782-A1 Diacylglycerol Acyltransferase Inhibitors DGAT2, DGAT1, MOGAT2 SLC2A1 309/4885P2RY12 3457/4885RAB9A 2586/4885

“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.