SCHEMBL20009009

SCHEMBL20009009

CC(C)N1CC2CCC(C1)N2c1ccnc(F)c1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.35
ROCK2 O75116 1/20 0.33
PRKG1 Q13976 1/20 0.33
SMARCA2 P51531 2/20 0.33
SMARCA4 P51532 2/20 0.33
MAPK14 Q16539 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4D Q08499 1/20 0.33
HRH3 Q9Y5N1 1/20 0.32
HRH4 Q9H3N8 4/20 0.32
TRPA1 O75762 1/20 0.32
HTR6 P50406 1/20 0.31
PREP P48147 1/20 0.31
FAP Q12884 1/20 0.31
MAPK1 P28482 1/20 0.31
P2RX7 Q99572 1/20 0.31

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
SCHEMBL20012788 0.84 OPRM1 (0.51) OPRM1SMARCA2SMARCA4PDE4BPDE4D
SCHEMBL20012579 0.80 OPRM1 (0.38) OPRM1SMARCA2SMARCA4PDE4BPDE4D
SCHEMBL20012905 0.80 PIK3CD (0.36) OPRM1ROCK2PRKG1TRPA1
SCHEMBL19991709 0.76 PDE4B (0.41) OPRM1ROCK2PRKG1SMARCA2SMARCA4
SCHEMBL18038663 0.76 OPRM1 (0.50) OPRM1ROCK2PDE4BPDE4D
SCHEMBL30606886 0.76 OPRM1 (0.50) OPRM1ROCK2PDE4BPDE4D
SCHEMBL20009020 0.75 DRD3 (0.39) OPRM1HRH3HTR6
SCHEMBL20009027 0.72 CYP11B2 (0.35) OPRM1TRPA1
SCHEMBL18038762 0.72 GPR119 (0.46)
SCHEMBL20008965 0.72 OPRM1 (0.47) OPRM1HRH3

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 OPRM1 2267/4885ROCK2 1903/4885PRKG1 694/4885

“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.