SCHEMBL4500396

SCHEMBL4500396

COc1ccc(CC(O)CN2CCN(CC(=O)NCc3ccc(Cl)c(Cl)c3)CC2)cc1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.55
CYP2D6 P10635 3/20 0.54
TSHR P16473 2/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA7 P43166 1/20 0.50
CA9 Q16790 1/20 0.50
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
ALDH1A1 P00352 1/20 0.48
POLB P06746 1/20 0.48
ENPP2 Q13822 2/20 0.47
GFER P55789 1/20 0.46
HRH3 Q9Y5N1 1/20 0.45

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
SCHEMBL4487892 0.90 LMNA (0.53) LMNACYP2D6TSHRSMN1; SMN2CA1
SCHEMBL4496607 0.89 LMNA (0.60) LMNACYP2D6TSHRSMN1; SMN2CA1
SCHEMBL4491381 0.86 LMNA (0.70) LMNACYP2D6TSHRSMN1; SMN2CA1
SCHEMBL4510340 0.86 MEN1 (0.50) LMNACYP2D6TSHRSMN1; SMN2CA1
SCHEMBL4865667 0.85 KCNH2 (0.49) LMNACYP2D6TSHRMEN1KMT2A
SCHEMBL5224753 0.81 ALDH1A1 (0.56) LMNACYP2D6TSHRSMN1; SMN2MEN1
SCHEMBL4511466 0.81 MEN1 (0.54) LMNACYP2D6TSHRMEN1KMT2A
SCHEMBL4486172 0.79 LMNA (0.58) LMNACYP2D6TSHRSMN1; SMN2CA1
SCHEMBL4490433 0.78 KMT2A (0.63) LMNACYP2D6MEN1KMT2AALDH1A1
SCHEMBL4503367 0.77 MEN1 (0.49) LMNATSHRSMN1; SMN2CA1CA2

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-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
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 2906/4885CYP2D6 563/4885TSHR 4124/4885
US-20040152890-A1 Substituted heterocyclic compounds KCNH1, SDHA, COQ8A LMNA 2835/4885CYP2D6 246/4885TSHR 3836/4885
US-20080275238-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS KCNH1, SDHA, COQ8A LMNA 2300/4885CYP2D6 238/4885TSHR 3785/4885
US-20070155728-A1 Substituted Heterocyclic Compounds KCNH1, SDHA, COQ8A LMNA 2300/4885CYP2D6 238/4885TSHR 3785/4885
US-20070004751-A1 Substituted heterocyclic compounds KCNH1, SDHA, COQ8A LMNA 2300/4885CYP2D6 238/4885TSHR 3785/4885

“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.