SCHEMBL22473393

SCHEMBL22473393

CC(C)(C)N1CC[C@H](OC(F)(F)F)C[C@@H]1c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 8/20 0.38
CHRNB2 P17787 1/20 0.36
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 1/20 0.36
CHRNA7 P36544 1/20 0.36
CHRNA4 P43681 1/20 0.36
CFB P00751 1/20 0.34
EPHX2 P34913 2/20 0.32
HRH3 Q9Y5N1 2/20 0.32
MEN1 O00255 1/20 0.31
POLB P06746 1/20 0.31
KMT2A Q03164 1/20 0.31
MAPK1 P28482 1/20 0.31
MAOA P21397 1/20 0.31
MAOB P27338 1/20 0.31
CHRM2 P08172 1/20 0.31
HTR1A P08908 1/20 0.31
ADRA2A P08913 1/20 0.31
CYP2D6 P10635 1/20 0.31
CHRM1 P11229 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
SCHEMBL22473207 1.00 RIPK1 (0.38) RIPK1CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL22473317 1.00 RIPK1 (0.38) RIPK1CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL22473141 0.88 CFB (0.37) CFBMAOAMAOBCYP2D6CHRM1
SCHEMBL23491491 0.88 CFB (0.37) CFBMAOAMAOBCYP2D6CHRM1
SCHEMBL23491512 0.83 CHRNB2 (0.49) RIPK1CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL23493302 0.80 CHRNB2 (0.36) RIPK1CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL22473206 0.80 CHRNB2 (0.36) RIPK1CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL22473396 0.79 RIPK1 (0.43) RIPK1CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL22473394 0.79 RIPK1 (0.43) RIPK1CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL22473388 0.79 RIPK1 (0.43) RIPK1CHRNB2CHRNB4CHRNA3CHRNA7

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 RIPK1 3202/4885CHRNB2 1972/4885CHRNB4 2227/4885
US-20210171516-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF AVPR1B, C3AR1, RHEB RIPK1 3202/4885CHRNB2 1972/4885CHRNB4 2227/4885

“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.