SCHEMBL23344773

SCHEMBL23344773

CC(=O)N1CC(C#N)(C(C)(C)C)C1

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.39
CTSB P07858 6/20 0.34
CTSS P25774 6/20 0.34
CTSK P43235 6/20 0.34
CYP1A2 P05177 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
CYP2D6 P10635 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
SCHEMBL23345223 0.85 CTSB (0.36) SMN1; SMN2CTSBCTSSCTSKCYP1A2
SCHEMBL23995711 0.81 CYP1A2 (0.38) SMN1; SMN2CTSBCTSSCTSKCYP1A2
SCHEMBL24597150 0.72 SMN1; SMN2 (0.48) SMN1; SMN2CYP1A2TDP1CYP2D6
SCHEMBL25450310 0.72 CCR6 (0.31)
SCHEMBL23075986 0.70 SMN1; SMN2 (0.45) SMN1; SMN2CYP1A2TDP1
SCHEMBL25093254 0.70 SMN1; SMN2 (0.50) SMN1; SMN2CYP1A2TDP1
SCHEMBL23344765 0.69 SMN1; SMN2 (0.41) SMN1; SMN2CYP1A2TDP1
SCHEMBL23075806 0.68 SMN1; SMN2 (0.43) SMN1; SMN2CYP1A2TDP1CYP2D6
SCHEMBL23344769 0.68 CYP2D6 (0.31) CYP2D6
SCHEMBL21997890 0.66 HSD11B1 (0.35) CTSBCTSSCTSKCYP1A2CYP2D6

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-11168102-B1 Bicyclic heteroaryl compounds and uses thereof Revolution Medicines, Inc. (US) 2021-11-09 US disclosed
US-20210139517-A1 BICYCLIC HETEROARYL COMPOUNDS AND USES THEREOF Revolution Medicines, Inc. 2021-05-13 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-11168102-B1 Bicyclic heteroaryl compounds and uses thereof SOS1, SOST, SOS2 SMN1; SMN2 375/4885CTSB 2814/4885CTSS 2095/4885
US-20210139517-A1 BICYCLIC HETEROARYL COMPOUNDS AND USES THEREOF SOST, SOS1, SOS2 SMN1; SMN2 432/4885CTSB 1337/4885CTSS 1067/4885

“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.