SCHEMBL22473534

SCHEMBL22473534

CC(C)N1CCCC[C@H]1c1ccn[nH]1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 1/20 0.42
WDR77 Q9BQA1 1/20 0.42
PARP1 P09874 6/20 0.40
RIPK1 Q13546 1/20 0.37
PARP2 Q9UGN5 1/20 0.36
ADAM17 P78536 1/20 0.36
CHRNB2 P17787 1/20 0.33
CHRNA7 P36544 1/20 0.33
CHRNA4 P43681 1/20 0.33
HSD11B1 P28845 2/20 0.32
CYP19A1 P11511 1/20 0.32
CYP11B2 P19099 1/20 0.32
CDK5 Q00535 1/20 0.32
CDK5R1 Q15078 1/20 0.32
PKM P14618 1/20 0.31
MAP4K4 O95819 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
SCHEMBL22473214 1.00 PRMT5 (0.42) PRMT5WDR77PARP1RIPK1PARP2
SCHEMBL2603308 0.76 PARP1 (0.43) PRMT5WDR77PARP1PARP2CHRNB2
SCHEMBL22473352 0.76 PRMT5 (0.45) PRMT5WDR77RIPK1ADAM17CHRNB2
SCHEMBL22473538 0.76 PRMT5 (0.45) PRMT5WDR77PARP1RIPK1
SCHEMBL22473215 0.76 PRMT5 (0.45) PRMT5WDR77RIPK1ADAM17CHRNB2
SCHEMBL23492368 0.76 PRMT5 (0.45) PRMT5WDR77PARP1RIPK1
SCHEMBL22473380 0.75 SCN9A (0.38) PRMT5WDR77RIPK1
SCHEMBL23491281 0.73 RIPK1 (0.34) PARP1RIPK1
SCHEMBL12643795 0.71 PARP1 (0.42) PARP1PARP2CHRNB2CHRNA7CHRNA4
SCHEMBL2603272 0.71 PARP1 (0.42) PARP1PARP2CHRNB2CHRNA7CHRNA4

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-20210171516-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2021-06-10 US disclosed
US-10787446-B2 Therapeutic compounds and methods of use thereof GENENTECH, INC. (US) 2020-09-29 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-10787446-B2 Therapeutic compounds and methods of use thereof AVPR1B, C3AR1, RHEB PRMT5 92/4885WDR77 589/4885PARP1 1568/4885
US-20210171516-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF AVPR1B, C3AR1, RHEB PRMT5 92/4885WDR77 589/4885PARP1 1568/4885

“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.