SCHEMBL20009056

SCHEMBL20009056

CC(C)N1CC2CCC(C1)N2C(=O)C(C)(C)O

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.37
CYP2D6 P10635 1/20 0.37
KCNH2 Q12809 1/20 0.37
CHRM2 P08172 1/20 0.32
CHRM1 P11229 1/20 0.32
CHRM3 P20309 1/20 0.32
AGTR2 P50052 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
SCHEMBL21738122 0.89 CYP2D6 (0.33) HRH3CYP2D6KCNH2
SCHEMBL18375130 0.79 SMN1; SMN2 (0.37) HRH3CYP2D6KCNH2
SCHEMBL21722669 0.79 HRH3 (0.33) HRH3CYP2D6KCNH2
SCHEMBL20008986 0.79 SMN1; SMN2 (0.37) HRH3CYP2D6KCNH2
SCHEMBL18390923 0.77 CCR2 (0.35) HRH3CYP2D6KCNH2
SCHEMBL7850221 0.77 CHRM2 (0.58) HRH3CHRM2CHRM1CHRM3
SCHEMBL19013688 0.77 CYP2D6 (0.32) HRH3CYP2D6KCNH2
SCHEMBL15196701 0.77 ALDH1A1 (0.42) HRH3CYP2D6KCNH2CHRM1
SCHEMBL7851975 0.76 HRH3 (0.41) HRH3
SCHEMBL20009059 0.76 GRM5 (0.35) HRH3CYP2D6KCNH2AGTR2

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 203/4885CYP2D6 4116/4885KCNH2 3885/4885

“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.