SCHEMBL19176552

SCHEMBL19176552

C#Cc1cc(C(C)(C)CCC)ccn1

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 2/20 0.33
CNR2 P34972 2/20 0.33
HDAC8 Q9BY41 1/20 0.32
AR P10275 2/20 0.32

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
SCHEMBL18857402 0.88 MAPK1 (0.37) HDAC8
SCHEMBL18948721 0.84 PRKCQ (0.32) HDAC8AR
SCHEMBL20927047 0.80 PRKCQ (0.34) HDAC8
SCHEMBL9004182 0.79 HDAC8 (0.37) HDAC8
SCHEMBL19863918 0.76 UHRF1 (0.42) CNR1CNR2AR
SCHEMBL23879473 0.75 CNR2 (0.38) CNR1CNR2AR
SCHEMBL21718459 0.75 AR (0.48) CNR1CNR2AR
SCHEMBL21719254 0.75 RECQL (0.39) CNR1CNR2AR
SCHEMBL18431456 0.75 NOS2 (0.52) CNR1CNR2AR
SCHEMBL19592834 0.75 MKNK1 (0.47) CNR1CNR2AR

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-20220332687-A1 HETEROARYL COMPOUNDS AND USES THEREOF SANOFI (FR) 2022-10-20 US disclosed
US-9980964-B2 ERK inhibitors and uses thereof CELGENE CAR LLC (BM) 2018-05-29 US disclosed
US-20170210729-A1 ERK INHIBITORS AND USES THEREOF BRISTOL-MYERS SQUIBB COMPANY 2017-07-27 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-20220332687-A1 HETEROARYL COMPOUNDS AND USES THEREOF ABCG2, CYP3A43, CYP3A5 CNR1 495/4885CNR2 238/4885HDAC8 1316/4885
US-20170210729-A1 ERK INHIBITORS AND USES THEREOF MAP3K20, MAP3K1, MAPK3 CNR1 3845/4885CNR2 3745/4885HDAC8 828/4885

“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.