SCHEMBL20009053

SCHEMBL20009053

CC(C)N1CC2CCC(C1)N2c1ccc(C(N)=O)nc1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 12/20 0.55
OPRM1 P35372 2/20 0.42
PARP1 P09874 1/20 0.39
PDE4A P27815 2/20 0.37
PDE4B Q07343 2/20 0.37
PDE4C Q08493 2/20 0.37
PDE4D Q08499 2/20 0.37
KCNJ1 P48048 1/20 0.36
KMT2A Q03164 1/20 0.35
OPRL1 P41146 1/20 0.35
GSK3B P49841 1/20 0.34

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
SCHEMBL20009045 0.88 HRH3 (0.43) HRH3OPRM1PARP1KCNJ1KMT2A
SCHEMBL26241845 0.85 HRH3 (0.45) HRH3OPRM1PARP1PDE4APDE4B
SCHEMBL26241814 0.73 OPRM1 (0.44) OPRM1PARP1KMT2A
SCHEMBL14843729 0.72 HRH3 (1.00) HRH3
SCHEMBL14843734 0.72 HRH3 (1.00) HRH3
SCHEMBL14844092 0.72 HRH3 (1.00) HRH3
SCHEMBL18420605 0.70 HRH3 (0.58) HRH3
SCHEMBL20009051 0.70 CHRNB2 (0.47)
SCHEMBL26244952 0.69 HRH3 (0.36) HRH3OPRM1PARP1OPRL1
SCHEMBL14844185 0.69 HRH3 (1.00) 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 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 HRH3 203/4885OPRM1 2267/4885PARP1 671/4885
US-20180086720-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF SMARCC1, SMARCC2, SMARCA4 HRH3 203/4885OPRM1 2267/4885PARP1 671/4885

“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.