SCHEMBL20012905

SCHEMBL20012905

CC(CCC(C)N1CC2CCC(C1)N2c1cnn(C)c1)N1CC2CCC(C1)N2c1ccnc(F)c1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.36
PIK3R1 P27986 1/20 0.36
TYK2 P29597 7/20 0.33
JAK2 O60674 6/20 0.33
JAK1 P23458 6/20 0.33
JAK3 P52333 2/20 0.32
OPRM1 P35372 1/20 0.31
TRPA1 O75762 1/20 0.31
LRRK2 Q5S007 3/20 0.31
ROCK2 O75116 1/20 0.30
PRKG1 Q13976 1/20 0.30
FGFR1 P11362 1/20 0.30
FGFR2 P21802 1/20 0.30
FGFR3 P22607 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
SCHEMBL20009009 0.80 OPRM1 (0.35) OPRM1TRPA1ROCK2PRKG1
SCHEMBL20012788 0.76 OPRM1 (0.51) PIK3CDPIK3R1OPRM1TRPA1
SCHEMBL20009008 0.74 HRH3 (0.35) PIK3CDPIK3R1OPRM1FGFR1
SCHEMBL20012579 0.72 OPRM1 (0.38) OPRM1TRPA1
SCHEMBL20012580 0.68 OPRM1 (0.46) PIK3CDPIK3R1TYK2JAK2JAK1
SCHEMBL19991709 0.66 PDE4B (0.41) OPRM1ROCK2PRKG1
SCHEMBL30606886 0.66 OPRM1 (0.50) OPRM1ROCK2
SCHEMBL18038663 0.66 OPRM1 (0.50) OPRM1ROCK2
SCHEMBL18038762 0.63 GPR119 (0.46)
SCHEMBL20012689 0.61 OPRM1 (0.42) TYK2JAK2JAK1OPRM1ROCK2

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 2 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

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 PIK3CD 3161/4885PIK3R1 508/4885TYK2 3552/4885
US-20180086720-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF SMARCC1, SMARCC2, SMARCA4 PIK3CD 3161/4885PIK3R1 508/4885TYK2 3552/4885

“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.