SCHEMBL4851344

SCHEMBL4851344

COC(=O)[C@]1(N)CCNC1

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.37
KMT2A Q03164 1/20 0.37
NPSR1 Q6W5P4 1/20 0.34
DPP9 Q86TI2 1/20 0.33
DPP7 Q9UHL4 1/20 0.33
OPRM1 P35372 1/20 0.33
LMNA P02545 1/20 0.31

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
SCHEMBL853241 1.00 KDM4E (0.37) KDM4EKMT2ANPSR1DPP9DPP7
Hydrochloric Acid SCHEMBL28563629 0.98 KDM4E (0.36) KDM4EKMT2ANPSR1DPP9DPP7
Hydrochloric Acid SCHEMBL28563631 0.98 KDM4E (0.36) KDM4EKMT2ANPSR1DPP9DPP7
SCHEMBL21553840 0.88 KDM4E (0.44) KDM4EKMT2ANPSR1DPP9DPP7
Hydrochloric Acid SCHEMBL7343047 0.86 KDM4E (0.42) KDM4EKMT2ANPSR1DPP9DPP7
SCHEMBL34473335 0.83
Methane SCHEMBL27653701 0.78 DPP9 (0.30) KDM4EKMT2ADPP9DPP7
SCHEMBL20669232 0.77 KDM4E (0.39) KDM4EKMT2ANPSR1DPP9DPP7
SCHEMBL231396 0.75
SCHEMBL29956680 0.74

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11414424-B2 Cardiac sarcomere inhibitors CYTOKINETICS, INC. (US) 2022-08-16 US disclosed
US-20200109148-A1 CARDIAC SARCOMERE INHIBITORS CYTOKINETICS, INC. 2020-04-09 US disclosed
WO-2020047447-A1 CARDIAC SARCOMERE INHIBITORS CYTOKINETICS, INC. (US) 2020-03-05 WO disclosed
US-7348434-B2 4-substituted quinoline derivatives, method and intermediates for their preparation and pharmaceutical compositions containing them BIGOT ANTONY 2008-03-25 US disclosed
US-20050032800-A1 4-Substituted quinoline derivatives, method and intermediates for their preparation and pharmaceutical compositions containing them AVENTIS PHARMA S. A. (FR) 2005-02-10 US 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-11414424-B2 Cardiac sarcomere inhibitors TNNI3, MYLK2, TNNT2 KDM4E 2153/4885KMT2A 2173/4885NPSR1 3406/4885
US-20200109148-A1 CARDIAC SARCOMERE INHIBITORS TNNI3, MYLK2, TNNT2 KDM4E 2153/4885KMT2A 2173/4885NPSR1 3406/4885
US-20050032800-A1 4-Substituted quinoline derivatives, method and intermediates for their preparation and pharmaceutical compositions containing them CBR3, HRH2, HRH4 KDM4E 3474/4885KMT2A 3546/4885NPSR1 752/4885

“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.