SCHEMBL4491381

SCHEMBL4491381

COc1ccc(CC(O)CN2CCN(CC(=O)NCc3ccccc3)CC2)cc1

nearest known ligand 0.70

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.70
GFER P55789 1/20 0.60
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
CYP2D6 P10635 5/20 0.56
CA1 P00915 1/20 0.56
CA2 P00918 1/20 0.56
CA7 P43166 1/20 0.56
CA9 Q16790 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
TSHR P16473 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
NPC1 O15118 1/20 0.55
PPARG P37231 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
NR2E3 Q9Y5X4 1/20 0.52
NCOR2 Q9Y618 1/20 0.52
HTT P42858 2/20 0.52
USP2 O75604 1/20 0.51

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
SCHEMBL4496607 0.91 LMNA (0.60) LMNAMEN1KMT2ACYP2D6CA1
SCHEMBL4495526 0.90 LMNA (0.68) LMNAGFERMEN1KMT2ACYP2D6
SCHEMBL4490433 0.90 KMT2A (0.63) LMNAMEN1KMT2ACYP2D6
SCHEMBL4500396 0.86 LMNA (0.55) LMNAGFERMEN1KMT2ACYP2D6
SCHEMBL4510340 0.81 MEN1 (0.50) LMNAMEN1KMT2ACYP2D6CA1
SCHEMBL4866146 0.81 GFER (0.58) LMNAGFERMEN1KMT2ACYP2D6
SCHEMBL4498990 0.81 MEN1 (0.63) LMNAMEN1KMT2ACYP2D6L3MBTL1
SCHEMBL4871531 0.81 LMNA (0.71) LMNAGFERMEN1KMT2ACA1
SCHEMBL3838145 0.81 LMNA (0.67) LMNAGFERMEN1KMT2ACA1
SCHEMBL4862824 0.81 CYP2C19 (0.59) LMNAMEN1KMT2ACYP2D6TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7566717-B2 Substituted heterocyclic compounds GILEAD SCIENCES, INC. (US) 2009-07-28 US disclosed
US-20080275238-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS PALLE VENKATA 2008-11-06 US disclosed
US-7407960-B2 Substituted heterocyclic compounds CV THERAPEUTICS, INC. (US) 2008-08-05 US disclosed
EP-1806346-A1 Substituted piperazine compounds and their use as fatty acid oxidation inhibitors CV THERAPEUTICS, INC. (US) 2007-07-11 EP disclosed
US-20070155728-A1 Substituted Heterocyclic Compounds PALLE VENKATA 2007-07-05 US disclosed
US-7205303-B2 Substituted heterocyclic compounds CV THERAPEUTICS, INC. (US) 2007-04-17 US disclosed
US-20070004751-A1 Substituted heterocyclic compounds ELZEIN ELFATIH 2007-01-04 US disclosed
US-7125876-B2 Substituted heterocyclic compounds CV THERAPEUTICS, INC. (US) 2006-10-24 US disclosed
EP-1578737-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS CV THERAPEUTICS, INC. (US) 2005-09-28 EP disclosed
EP-1567525-A2 SUBSTITUTED PIPERAZINE COMPOUNDS AND THEIR USE AS FATTY ACID OXIDATION INHIBITORS CV THERAPEUTICS, INC. (US) 2005-08-31 EP disclosed
US-20040176356-A1 Substituted heterocyclic compounds CV THERAPEUTICS, INC. 2004-09-09 US disclosed
US-20040152890-A1 Substituted heterocyclic compounds CV THERAPEUTICS, INC. 2004-08-05 US disclosed
WO-2004063180-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS CV THERAPEUTICS, INC. (US) 2004-07-29 WO disclosed
WO-2004052887-A2 SUBSTITUTED PIPERAZINE COMPOUNDS AND THEIR USE AS FATTY ACID OXIDATION INHIBITORS CV THERAPEUTICS, INC. (US) 2004-06-24 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 (5 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-20040176356-A1 Substituted heterocyclic compounds KCNH1, KCNJ2, SCN5A LMNA 2906/4885GFER 3358/4885MEN1 4263/4885
US-20040152890-A1 Substituted heterocyclic compounds KCNH1, SDHA, COQ8A LMNA 2835/4885GFER 2311/4885MEN1 3200/4885
US-20080275238-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS KCNH1, SDHA, COQ8A LMNA 2300/4885GFER 2595/4885MEN1 2899/4885
US-20070155728-A1 Substituted Heterocyclic Compounds KCNH1, SDHA, COQ8A LMNA 2300/4885GFER 2595/4885MEN1 2899/4885
US-20070004751-A1 Substituted heterocyclic compounds KCNH1, SDHA, COQ8A LMNA 2300/4885GFER 2595/4885MEN1 2899/4885

“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.