SCHEMBL4501436

SCHEMBL4501436

O=C(CN1CCN(CC(O)c2ccccc2)CC1)NCCc1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.57
MEN1 O00255 6/20 0.57
KMT2A Q03164 6/20 0.57
NPSR1 Q6W5P4 1/20 0.54
GAA P10253 3/20 0.52
GFER P55789 2/20 0.52
LMNA P02545 1/20 0.52
HTT P42858 2/20 0.52
L3MBTL1 Q9Y468 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
RAB9A P51151 1/20 0.52
ALDH1A1 P00352 3/20 0.50
TSHR P16473 1/20 0.50
OPRM1 P35372 1/20 0.50
OPRD1 P41143 1/20 0.50
IGF1R P08069 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
SCHEMBL3838578 0.87 KMT2A (0.70) KDM4EMEN1KMT2ANPSR1GAA
SCHEMBL4493648 0.81 HPGD (0.55) KDM4EMEN1KMT2ALMNAHTT
SCHEMBL12359538 0.80 MEN1 (0.62) KDM4EMEN1KMT2AGAAGFER
SCHEMBL4507273 0.80 MEN1 (0.60) KDM4EMEN1KMT2ANPSR1LMNA
SCHEMBL19231564 0.80 KMT2A (0.59) KDM4EMEN1KMT2ANPSR1GAA
SCHEMBL654593 0.78 MEN1 (0.59) KDM4EMEN1KMT2ANPSR1GAA
SCHEMBL653380 0.78 MEN1 (0.59) KDM4EMEN1KMT2AGAAGFER
SCHEMBL10282609 0.77 MEN1 (0.62) KDM4EMEN1KMT2ANPSR1GAA
SCHEMBL4498472 0.77 MEN1 (0.54) KDM4EMEN1KMT2ANPSR1LMNA
SCHEMBL4861763 0.77 ABCB1 (0.53) MEN1KMT2ATSHR

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 7 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-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
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
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 (3 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 KDM4E 3425/4885MEN1 4263/4885KMT2A 2698/4885
US-20080275238-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS KCNH1, SDHA, COQ8A KDM4E 2949/4885MEN1 2899/4885KMT2A 3029/4885
US-20070155728-A1 Substituted Heterocyclic Compounds KCNH1, SDHA, COQ8A KDM4E 2949/4885MEN1 2899/4885KMT2A 3029/4885

“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.