SCHEMBL22473147

SCHEMBL22473147

CC(C)(C)N1CC[C@@H](C(F)(F)F)C[C@H]1c1ccccn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 3/20 0.40
SCN2A Q99250 1/20 0.40
SCN8A Q9UQD0 1/20 0.40
RIPK1 Q13546 1/20 0.39
MAPT P10636 2/20 0.35
ALDH1A1 P00352 1/20 0.35
HDAC8 Q9BY41 2/20 0.34
HDAC6 Q9UBN7 2/20 0.34
PRMT5 O14744 1/20 0.33
WDR77 Q9BQA1 1/20 0.33
HSD11B1 P28845 1/20 0.33
NPEPPS P55786 1/20 0.32
DPP4 P27487 3/20 0.32
CXCR4 P61073 2/20 0.32
TDP1 Q9NUW8 1/20 0.32
POLB P06746 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CHRM2 P08172 1/20 0.31
CHRM4 P08173 1/20 0.31
CHRM5 P08912 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
SCHEMBL22473539 0.80 MAP4K4 (0.31) HSD11B1
SCHEMBL22473186 0.79 RIPK1 (0.40) SCN9ARIPK1
SCHEMBL22473188 0.79 RIPK1 (0.40) SCN9ARIPK1
SCHEMBL22473175 0.79 RIPK1 (0.40) SCN9ARIPK1
SCHEMBL278629 0.79 RIPK1 (0.45) RIPK1MAPTALDH1A1HDAC8HDAC6
SCHEMBL22473544 0.76 SCN9A (0.41) SCN9A
SCHEMBL23491988 0.74 SCN9A (0.40) SCN9ARIPK1PRMT5WDR77
SCHEMBL22473156 0.74 SCN9A (0.42) SCN9APRMT5WDR77
SCHEMBL22473295 0.74 SCN9A (0.42) SCN9APRMT5WDR77
SCHEMBL20993167 0.74 RIPK1 (0.48) RIPK1MAPTALDH1A1PRMT5WDR77

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 SCN9A 256/4885SCN2A 1827/4885SCN8A 1658/4885
US-20210171516-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF AVPR1B, C3AR1, RHEB SCN9A 256/4885SCN2A 1827/4885SCN8A 1658/4885

“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.