SCHEMBL20008993

SCHEMBL20008993

CC(C)N1CCN(c2ccccc2)[C@@H](C)C1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.53
SLC18A3 Q16572 1/20 0.49
ADAMTS5 Q9UNA0 2/20 0.41
CYP2D6 P10635 2/20 0.40
GSK3B P49841 1/20 0.39
HRH3 Q9Y5N1 4/20 0.39
SLC6A9 P48067 1/20 0.39
OPRM1 P35372 1/20 0.39
TSHR P16473 1/20 0.38
MAPT P10636 3/20 0.38
NPSR1 Q6W5P4 1/20 0.38
KCNH2 Q12809 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL20009011 1.00 MAPK1 (0.53) MAPK1SLC18A3ADAMTS5CYP2D6GSK3B
SCHEMBL20009034 1.00 MAPK1 (0.53) MAPK1SLC18A3ADAMTS5CYP2D6GSK3B
SCHEMBL19003704 0.85 MAPT (0.43) MAPK1GSK3BHRH3MAPTNPSR1
SCHEMBL27157534 0.83 HRH3 (0.41) MAPK1SLC18A3ADAMTS5GSK3BHRH3
SCHEMBL27204206 0.83 HRH3 (0.41) MAPK1SLC18A3ADAMTS5GSK3BHRH3
SCHEMBL17897284 0.83 ADAMTS5 (0.43) MAPK1SLC18A3ADAMTS5CYP2D6GSK3B
SCHEMBL17897270 0.83 ADAMTS5 (0.43) MAPK1SLC18A3ADAMTS5CYP2D6GSK3B
SCHEMBL19003576 0.83 ADAMTS5 (0.43) MAPK1SLC18A3ADAMTS5CYP2D6GSK3B
SCHEMBL26239828 0.81 CYP2D6 (0.39) MAPK1SLC18A3CYP2D6HRH3MAPT
SCHEMBL13899013 0.81 KDM4E (0.44) MAPK1GSK3BHRH3TSHRMAPT

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 MAPK1 1770/4885SLC18A3 3291/4885ADAMTS5 4424/4885
US-20180086720-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF SMARCC1, SMARCC2, SMARCA4 MAPK1 1770/4885SLC18A3 3291/4885ADAMTS5 4424/4885

“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.