SCHEMBL12598147

SCHEMBL12598147

O=C(CC1CCCN1)Nc1ccc(C2CCN(C(=O)Nc3c(Cl)cccc3Cl)CC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 6/20 0.46
DGAT1 O75907 3/20 0.46
TP53 P04637 4/20 0.44
LMNA P02545 3/20 0.44
MAPT P10636 3/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
NFKB1 P19838 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
ADORA2A P29274 1/20 0.42
IDO1 P14902 1/20 0.41

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
SCHEMBL13984025 0.94 NAMPT (0.42) NAMPTDGAT1TP53LMNAMAPT
SCHEMBL12598108 0.84 NAMPT (0.61) NAMPTDGAT1TP53LMNAMAPT
SCHEMBL12598165 0.82 DGAT1 (0.51) NAMPTDGAT1TP53LMNAMAPT
SCHEMBL13242331 0.82 DGAT1 (0.51) NAMPTDGAT1TP53LMNAMAPT
SCHEMBL12598083 0.81 DGAT1 (0.49) NAMPTDGAT1TP53LMNAMAPT
SCHEMBL12598156 0.81 DGAT1 (0.50) NAMPTDGAT1TP53LMNAMAPT
SCHEMBL12598077 0.81 NPC1 (0.54) DGAT1TP53LMNAMAPTNPC1
SCHEMBL12598176 0.80 DGAT1 (0.49) NAMPTDGAT1TP53LMNAMAPT
SCHEMBL12598069 0.80 DGAT1 (0.50) NAMPTDGAT1TP53LMNAMAPT
SCHEMBL12598106 0.80 NAMPT (0.49) NAMPTDGAT1TP53LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180028660-A1 DRUG COMBINATIONS COMPRISING A DGAT INHIBITOR AND A PPAR-AGONIST JANSSEN PHARMACEUTICA NV (BE) 2018-02-01 US disclosed
US-20180028660-A1 DRUG COMBINATIONS COMPRISING A DGAT INHIBITOR AND A PPAR-AGONIST JANSSEN PHARMACEUTICA NV (BE) 2018-02-01 US disclosed
US-9724418-B2 Drug combinations comprising a DGAT inhibitor and a PPAR-agonist JANSSEN PHARMACEUTICA NV (BE) 2017-08-08 US disclosed
US-9724418-B2 Drug combinations comprising a DGAT inhibitor and a PPAR-agonist JANSSEN PHARMACEUTICA NV (BE) 2017-08-08 US disclosed
EP-2296659-B1 Drug combinations comprising a DGAT inhibitor and a PPAR-agonist JANSSEN PHARMACEUTICA NV (BE) 2016-12-21 EP disclosed
US-20150320741-A1 DRUG COMBINATIONS COMPRISING A DGAT INHIBITOR AND A PPAR-AGONIST JANSSEN PHARMACEUTICA NV (BE) 2015-11-12 US disclosed
US-20150320741-A1 DRUG COMBINATIONS COMPRISING A DGAT INHIBITOR AND A PPAR-AGONIST JANSSEN PHARMACEUTICA NV (BE) 2015-11-12 US disclosed
US-9107946-B2 Drug combinations comprising a DGAT inhibitor and a PPAR-agonist JANSSEN PHARMACEUTICA NV (BE) 2015-08-18 US disclosed
US-9107946-B2 Drug combinations comprising a DGAT inhibitor and a PPAR-agonist JANSSEN PHARMACEUTICA NV (BE) 2015-08-18 US disclosed
US-8981094-B2 Piperidine/piperazine derivatives JANSSEN PHARMACEUTICA N.V. (BE) 2015-03-17 US disclosed
US-8981094-B2 Piperidine/piperazine derivatives JANSSEN PHARMACEUTICA N.V. (BE) 2015-03-17 US disclosed
EP-2152270-B1 PIPERIDINE/PIPERAZINE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2015-03-04 EP disclosed
US-20110112111-A1 DRUG COMBINATIONS COMPRISING A DGAT INHIBITOR AND A PPAR-AGONIST JANSSEN PHARMACEUTICA NV (BE) 2011-05-12 US disclosed
US-20100190789-A1 PIPERIDINE/PIPERAZINE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 2010-07-29 US disclosed
US-20100190789-A1 PIPERIDINE/PIPERAZINE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 2010-07-29 US disclosed
WO-2009147170-A2 DRUG COMBINATIONS COMPRISING A DGAT INHIBITOR AND A PPAR-AGONIST JANSSEN PHARMACEUTICA NV (BE) 2009-12-10 WO 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 (4 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-20150320741-A1 DRUG COMBINATIONS COMPRISING A DGAT INHIBITOR AND A PPAR-AGONIST PPARG, PPARA, DGAT1 NAMPT 35/4885DGAT1 3/4885TP53 2121/4885
US-20180028660-A1 DRUG COMBINATIONS COMPRISING A DGAT INHIBITOR AND A PPAR-AGONIST PPARG, PPARA, DGAT1 NAMPT 35/4885DGAT1 3/4885TP53 2121/4885
US-20100190789-A1 PIPERIDINE/PIPERAZINE DERIVATIVES NR2C2, NR5A2, DGAT1 NAMPT 129/4885DGAT1 3/4885TP53 4726/4885
US-20110112111-A1 DRUG COMBINATIONS COMPRISING A DGAT INHIBITOR AND A PPAR-AGONIST PPARG, PPARA, DGAT1 NAMPT 35/4885DGAT1 3/4885TP53 2121/4885

“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.