SCHEMBL20009008

SCHEMBL20009008

CC(C)N1CC2CCC(C1)N2c1cnn(C)c1

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.35
FGFR1 P11362 1/20 0.34
OPRM1 P35372 1/20 0.33
PIK3CD O00329 1/20 0.32
PIK3R1 P27986 1/20 0.32
WNT1 P04628 1/20 0.31
GSK3B P49841 1/20 0.31
DYRK1A Q13627 1/20 0.31
KAT2B Q92831 1/20 0.30
IRAK4 Q9NWZ3 2/20 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
SCHEMBL20012580 0.83 OPRM1 (0.46) OPRM1PIK3CDPIK3R1GSK3BDYRK1A
SCHEMBL20009043 0.77 CHRNB2 (0.33) HRH3OPRM1
SCHEMBL20012689 0.75 OPRM1 (0.42) OPRM1IRAK4
SCHEMBL20012905 0.74 PIK3CD (0.36) FGFR1OPRM1PIK3CDPIK3R1
Hydrochloric Acid SCHEMBL18038828 0.73 OPRM1 (0.41) OPRM1IRAK4
SCHEMBL20008965 0.73 OPRM1 (0.47) HRH3OPRM1
SCHEMBL20009051 0.72 CHRNB2 (0.47)
SCHEMBL20009027 0.71 CYP11B2 (0.35) OPRM1
SCHEMBL20009020 0.70 DRD3 (0.39) HRH3OPRM1
SCHEMBL20009045 0.70 HRH3 (0.43) HRH3OPRM1

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 203/4885FGFR1 925/4885OPRM1 2267/4885
US-20180086720-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF SMARCC1, SMARCC2, SMARCA4 HRH3 203/4885FGFR1 925/4885OPRM1 2267/4885

“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.