SCHEMBL2514801

SCHEMBL2514801

Nc1ccc(N2CCC(O)(c3cccc(C(F)(F)F)c3)CC2)nc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.61
SMN1; SMN2 Q16637 3/20 0.61
NPC1 O15118 1/20 0.61
RAB9A P51151 1/20 0.61
OPRL1 P41146 9/20 0.51
OPRM1 P35372 7/20 0.49
OPRK1 P41145 4/20 0.49
OPRD1 P41143 4/20 0.49
ALDH1A1 P00352 3/20 0.49
HIF1A Q16665 1/20 0.49
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
KDM4E B2RXH2 2/20 0.47
LMNA P02545 2/20 0.47
HPGD P15428 2/20 0.47
HTT P42858 2/20 0.47
NPSR1 Q6W5P4 2/20 0.47
TP53 P04637 1/20 0.47
ALOX15 P16050 1/20 0.47
XBP1 P17861 1/20 0.47

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
SCHEMBL3310456 0.84 SMN1; SMN2 (0.60) MAPTSMN1; SMN2NPC1RAB9AOPRL1
SCHEMBL2397410 0.81 GRIN2B (0.49) MAPTSMN1; SMN2NPC1RAB9AOPRL1
SCHEMBL5742351 0.80 MAPT (0.58) MAPTSMN1; SMN2NPC1RAB9AOPRL1
SCHEMBL2494773 0.78 DHFR (0.59) MAPTSMN1; SMN2ALDH1A1KDM4ELMNA
SCHEMBL2514320 0.74 DRD2 (0.50) KDM4ELMNADGAT1
SCHEMBL31557722 0.74 OPRL1 (0.62) MAPTSMN1; SMN2NPC1RAB9AOPRL1
SCHEMBL14503590 0.74 OPRL1 (0.58) MAPTSMN1; SMN2NPC1RAB9AOPRL1
SCHEMBL10079145 0.73 OPRL1 (0.64) MAPTSMN1; SMN2NPC1RAB9AOPRL1
SCHEMBL30227020 0.71 OPRL1 (0.59) MAPTSMN1; SMN2NPC1RAB9AOPRL1
SCHEMBL26706222 0.71 OPRL1 (0.59) MAPTSMN1; SMN2NPC1RAB9AOPRL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8211914-B2 Inhibitors of diacylglycerol acyltransferase MADRIGAL PHARMACEUTICALS, INC. (US) 2012-07-03 US claimed
WO-2010077861-A1 INHIBITORS OF DIACYLGLYCEROL ACLYTRANSFERASE VIA PHARMACEUTICALS, INC (US) 2010-07-08 WO claimed
US-20100152445-A1 Inhibitors of Diacylglycerol Acyltransferase MADRIGAL PHARMACEUTICALS, INC. 2010-06-17 US claimed
US-8211914-B2 Inhibitors of diacylglycerol acyltransferase MADRIGAL PHARMACEUTICALS, INC. (US) 2012-07-03 US disclosed
US-8211914-B2 Inhibitors of diacylglycerol acyltransferase MADRIGAL PHARMACEUTICALS, INC. (US) 2012-07-03 US disclosed
US-8211914-B2 Inhibitors of diacylglycerol acyltransferase MADRIGAL PHARMACEUTICALS, INC. (US) 2012-07-03 US disclosed
EP-2378878-A1 INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE Via Pharmaceuticals, Inc. (US) 2011-10-26 EP disclosed
WO-2010077861-A1 INHIBITORS OF DIACYLGLYCEROL ACLYTRANSFERASE VIA PHARMACEUTICALS, INC (US) 2010-07-08 WO disclosed
US-20100152445-A1 Inhibitors of Diacylglycerol Acyltransferase MADRIGAL PHARMACEUTICALS, INC. 2010-06-17 US disclosed
US-20100152445-A1 Inhibitors of Diacylglycerol Acyltransferase MADRIGAL PHARMACEUTICALS, INC. 2010-06-17 US disclosed
US-20100152445-A1 Inhibitors of Diacylglycerol Acyltransferase MADRIGAL PHARMACEUTICALS, INC. 2010-06-17 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-20100152445-A1 Inhibitors of Diacylglycerol Acyltransferase DGAT2, DGAT1, ACAT2 MAPT 3731/4885SMN1; SMN2 4770/4885NPC1 1345/4885

“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.