SCHEMBL4496607

SCHEMBL4496607

COc1ccc(CC(O)CN2CCN(CC(=O)NCc3ccc(Cl)cc3)CC2)cc1

nearest known ligand 0.70

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.60
CA1 P00915 2/20 0.55
CA2 P00918 2/20 0.55
CA7 P43166 2/20 0.55
CA9 Q16790 2/20 0.55
TSHR P16473 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
KMT2A Q03164 4/20 0.54
MEN1 O00255 3/20 0.54
CYP2D6 P10635 3/20 0.54
POLB P06746 2/20 0.50
L3MBTL1 Q9Y468 1/20 0.49
ALDH1A1 P00352 2/20 0.48
GAA P10253 1/20 0.48
CNR1 P21554 1/20 0.48

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
SCHEMBL4491381 0.91 LMNA (0.70) LMNACA1CA2CA7CA9
SCHEMBL4486172 0.90 LMNA (0.58) LMNACA1CA2CA7CA9
SCHEMBL4500396 0.89 LMNA (0.55) LMNACA1CA2CA7CA9
SCHEMBL4510340 0.88 MEN1 (0.50) LMNACA1CA2CA7CA9
SCHEMBL4511466 0.83 MEN1 (0.54) LMNATSHRKMT2AMEN1CYP2D6
SCHEMBL4490433 0.80 KMT2A (0.63) LMNAKMT2AMEN1CYP2D6POLB
SCHEMBL4495526 0.80 LMNA (0.68) LMNACA1CA2CA7CA9
SCHEMBL5224753 0.80 ALDH1A1 (0.56) LMNATSHRSMN1; SMN2KMT2AMEN1
SCHEMBL4487892 0.79 LMNA (0.53) LMNACA1CA2CA7CA9
SCHEMBL4503367 0.79 MEN1 (0.49) LMNACA1CA2CA7CA9

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 12 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
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

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 2906/4885CA1 3475/4885CA2 2309/4885
US-20040152890-A1 Substituted heterocyclic compounds KCNH1, SDHA, COQ8A LMNA 2835/4885CA1 3085/4885CA2 2293/4885
US-20080275238-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS KCNH1, SDHA, COQ8A LMNA 2300/4885CA1 3179/4885CA2 2296/4885
US-20070155728-A1 Substituted Heterocyclic Compounds KCNH1, SDHA, COQ8A LMNA 2300/4885CA1 3179/4885CA2 2296/4885
US-20070004751-A1 Substituted heterocyclic compounds KCNH1, SDHA, COQ8A LMNA 2300/4885CA1 3179/4885CA2 2296/4885

“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.