SCHEMBL20009043

SCHEMBL20009043

CC(C)N1CC2CCC(C1)N2c1cncnc1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 3/20 0.33
CHRNB4 P30926 3/20 0.33
CHRNA3 P32297 3/20 0.33
CHRNA4 P43681 3/20 0.33
HRH3 Q9Y5N1 2/20 0.32
OPRM1 P35372 1/20 0.31
PDE9A O76083 1/20 0.30

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
SCHEMBL20009051 0.81 CHRNB2 (0.47) CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL26241700 0.80 OPRM1 (0.47) CHRNB2CHRNB4CHRNA3CHRNA4OPRM1
SCHEMBL20009027 0.80 CYP11B2 (0.35) CHRNB2CHRNB4CHRNA3CHRNA4OPRM1
SCHEMBL20009008 0.77 HRH3 (0.35) HRH3OPRM1
SCHEMBL20008965 0.75 OPRM1 (0.47) HRH3OPRM1
SCHEMBL20009020 0.72 DRD3 (0.39) HRH3OPRM1
SCHEMBL20009044 0.72 KDM4E (0.37) PDE9A
SCHEMBL15907020 0.72 PDE9A (0.40) HRH3PDE9A
SCHEMBL22794068 0.71 OGA (0.33) HRH3PDE9A
SCHEMBL20012877 0.71 OPRM1 (0.46) CHRNB2CHRNB4CHRNA3CHRNA4OPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10308614-B2 Therapeutic compounds and uses thereof GENENTECH, INC. (US) 2019-06-04 US disclosed
US-20180086720-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2018-03-29 US disclosed
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 (2 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-10308614-B2 Therapeutic compounds and uses thereof SMARCC1, SMARCC2, SMARCA4 CHRNB2 1123/4885CHRNB4 1088/4885CHRNA3 1158/4885
US-20180086720-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF SMARCC1, SMARCC2, SMARCA4 CHRNB2 1123/4885CHRNB4 1088/4885CHRNA3 1158/4885

“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.