SCHEMBL20009060

SCHEMBL20009060

CC(C)N1CC2CCC(C1)N2c1ccccn1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.43
KDM4E B2RXH2 1/20 0.38
HSD17B10 Q99714 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
DRD2 P14416 1/20 0.36
DRD4 P21917 1/20 0.36
PLD1 Q13393 1/20 0.36

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
SCHEMBL26241918 0.82 OPRM1 (0.44) SMN1; SMN2DRD2DRD4
SCHEMBL20009032 0.80 SLC6A7 (0.38) HRH3KDM4EDRD2DRD4
SCHEMBL20012576 0.79 GRIN2B (0.40) DRD2DRD4PLD1
SCHEMBL20009044 0.78 KDM4E (0.37) KDM4ESMN1; SMN2
SCHEMBL9963415 0.76 IDH1 (0.41) HRH3KDM4EHSD17B10
SCHEMBL9963414 0.76 IDH1 (0.41) HRH3KDM4EHSD17B10
SCHEMBL20009007 0.76 HRH3 (0.46) HRH3DRD4
SCHEMBL30124446 0.75 HRH3 (0.46) HRH3KDM4EHSD17B10DRD2DRD4
SCHEMBL20008965 0.75 OPRM1 (0.47) HRH3DRD2DRD4
SCHEMBL9963410 0.75 OPRM1 (0.44) HRH3

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 HRH3 203/4885KDM4E 1623/4885HSD17B10 3130/4885

“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.