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SCHEMBL4498472

SCHEMBL4498472

O=C(CN1CCN(CC(O)c2ccccc2)CC1)NCc1ccc(Cl)c(Cl)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.54
▸ KMT2A Q03164 1/20 0.54
▸ NPSR1 Q6W5P4 1/20 0.54
▸ PLA2G1B P04054 1/20 0.51
▸ POLB P06746 1/20 0.51
▸ ATG4B Q9Y4P1 1/20 0.51
▸ HTR1A P08908 1/20 0.51
▸ HTR7 P34969 1/20 0.51
▸ CA1 P00915 2/20 0.51
▸ CA2 P00918 2/20 0.51
▸ CA7 P43166 2/20 0.51
▸ CA9 Q16790 2/20 0.51
▸ KDM4E B2RXH2 1/20 0.50
▸ LMNA P02545 1/20 0.49
▸ TRPV1 Q8NER1 1/20 0.49
▸ USP2 O75604 1/20 0.49
▸ HTT P42858 1/20 0.49
▸ NPFFR1 Q9GZQ6 2/20 0.47
▸ NPFFR2 Q9Y5X5 2/20 0.47
▸ ENPP2 Q13822 1/20 0.47

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
SCHEMBL4507273 0.88 MEN1 (0.60) MEN1KMT2ANPSR1POLBCA1
SCHEMBL3838578 0.86 KMT2A (0.70) MEN1KMT2ANPSR1CA1CA2
SCHEMBL4493117 0.82 P2RX7 (0.48) MEN1KMT2ANPSR1KDM4EALDH1A1
SCHEMBL4862068 0.78 KCNH2 (0.52) MEN1KMT2ANPSR1LMNAUSP2
SCHEMBL3832875 0.78 ALDH1A1 (0.50) MEN1KMT2ANPSR1LMNAENPP2
SCHEMBL3826732 0.78 TP53 (0.50) MEN1KMT2AKDM4ELMNAHTT
SCHEMBL4501436 0.77 KDM4E (0.57) MEN1KMT2ANPSR1KDM4ELMNA
SCHEMBL4500396 0.76 LMNA (0.55) MEN1KMT2APOLBCA1CA2
SCHEMBL4493648 0.76 HPGD (0.55) MEN1KMT2AKDM4ELMNAHTT
SCHEMBL3839101 0.75 CA1 (0.56) MEN1KMT2ANPSR1CA1CA2

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 MEN1 4263/4885KMT2A 2698/4885NPSR1 1894/4885
US-20080275238-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS KCNH1, SDHA, COQ8A MEN1 2899/4885KMT2A 3029/4885NPSR1 3571/4885
US-20070155728-A1 Substituted Heterocyclic Compounds KCNH1, SDHA, COQ8A MEN1 2899/4885KMT2A 3029/4885NPSR1 3571/4885

“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.