SCHEMBL20009044

SCHEMBL20009044

CC(C)N1CC2CCC(C1)N2c1cnccn1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.37
ALDH1A1 P00352 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
GPR119 Q8TDV5 2/20 0.33
RXFP1 Q9HBX9 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.31
LMNA P02545 1/20 0.31
GRM1 Q13255 2/20 0.31
TP53 P04637 1/20 0.31
PDE9A O76083 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
SCHEMBL12988802 0.78 KDM4E (0.37) KDM4EALDH1A1SMN1; SMN2GPR119RXFP1
SCHEMBL20009060 0.78 HRH3 (0.43) KDM4ESMN1; SMN2
SCHEMBL20009080 0.76 KDM4E (0.39) KDM4EGPR119RXFP1
SCHEMBL13035353 0.76 KDM4E (0.39) KDM4EGPR119RXFP1L3MBTL1LMNA
SCHEMBL1713568 0.75 KDM4E (0.38) KDM4EALDH1A1SMN1; SMN2GPR119RXFP1
SCHEMBL20009051 0.74 CHRNB2 (0.47)
SCHEMBL20009032 0.73 SLC6A7 (0.38) KDM4EALDH1A1LMNA
SCHEMBL20012694 0.73 KDM4E (0.37) KDM4EGPR119RXFP1
SCHEMBL20009007 0.73 HRH3 (0.46) GPR119GRM1
Hydrochloric Acid SCHEMBL19991677 0.72 KDM4E (0.36) KDM4EGPR119

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180086720-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2018-03-29 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 (1 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-20180086720-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF SMARCC1, SMARCC2, SMARCA4 KDM4E 1623/4885ALDH1A1 3032/4885SMN1; SMN2 176/4885

“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.