SCHEMBL20009080

SCHEMBL20009080

c1cnc(N2C3CCCC2CC3)cn1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.39
PTPN11 Q06124 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
CHRM2 P08172 2/20 0.36
CHRM4 P08173 1/20 0.36
GPR119 Q8TDV5 2/20 0.35
CHRM1 P11229 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
MAP3K12 Q12852 1/20 0.34
SORD Q00796 1/20 0.33
HRH4 Q9H3N8 1/20 0.33

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
SCHEMBL1713568 0.83 KDM4E (0.38) KDM4EGPR119RXFP1SORD
SCHEMBL20012694 0.81 KDM4E (0.37) KDM4EPTPN11GPR119RXFP1
SCHEMBL13035353 0.80 KDM4E (0.39) KDM4ECHRM2CHRM4GPR119RXFP1
Hydrochloric Acid SCHEMBL19991677 0.80 KDM4E (0.36) KDM4EPTPN11GPR119
SCHEMBL1022931 0.80 KDM4E (0.39) KDM4EPTPN11GPR119RXFP1SORD
SCHEMBL12988802 0.76 KDM4E (0.37) KDM4ECHRM2CHRM4GPR119RXFP1
SCHEMBL20009044 0.76 KDM4E (0.37) KDM4EGPR119RXFP1
SCHEMBL14467584 0.76 KDM4E (0.40) KDM4ECHRM4GPR119RXFP1SORD
SCHEMBL5147866 0.76 KDM4E (0.37) KDM4EPTPN11CHRM4GPR119RXFP1
SCHEMBL4130328 0.73 CHRM4 (0.47) KDM4EHRH3CHRM2CHRM4GPR119

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 1623/4885PTPN11 3771/4885HRH3 203/4885

“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.