SCHEMBL5322255

SCHEMBL5322255

CC(N)(CC(=O)O)C1CC1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 1/20 0.42
CHRM1 P11229 1/20 0.42
TBXA2R P21731 1/20 0.42
ADRA1A P35348 1/20 0.42
KDM4E B2RXH2 1/20 0.41
CYP2C19 P33261 2/20 0.41
HIF1A Q16665 2/20 0.41
CYP2D6 P10635 1/20 0.41
TSHR P16473 1/20 0.41
FFAR1 O14842 1/20 0.37
CPT2 P23786 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
GRM2 Q14416 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LIPA P38571 1/20 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
SCHEMBL28655164 0.91 HMGCR (0.39) HMGCRCHRM1TBXA2RADRA1AKDM4E
SCHEMBL28773149 0.91 HMGCR (0.39) HMGCRCHRM1TBXA2RADRA1AKDM4E
SCHEMBL17047069 0.90 CHRM1 (0.38) HMGCRCHRM1TBXA2RADRA1AKDM4E
SCHEMBL17047071 0.90 CHRM1 (0.38) HMGCRCHRM1TBXA2RADRA1AKDM4E
SCHEMBL15777204 0.82 FDPS (0.33) LIPA
Hydrochloric Acid SCHEMBL18952314 0.80 FDPS (0.32) KDM4ELIPA
Hydrochloric Acid SCHEMBL20594071 0.80 FDPS (0.32) KDM4ELIPA
Hydrochloric Acid SCHEMBL18952339 0.80 FDPS (0.32) KDM4ELIPA
SCHEMBL3516359 0.76 HMGCR (0.46) HMGCRCHRM1TBXA2RADRA1AKDM4E
SCHEMBL21272723 0.76 HMGCR (0.52) HMGCRCHRM1TBXA2RADRA1AKDM4E

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
CN-114729006-A Cyclic peptide compounds having Kras inhibitory activity 中外制药株式会社 2022-07-08 CN disclosed
US-20070258899-A1 Diagnostic and therapeutic agents KARYON-CTT LTD (FI) 2007-11-08 US disclosed
WO-2007113385-A1 DIAGNOSTIC AND THERAPEUTIC AGENTS KARYON-CTT LTD (FI) 2007-10-11 WO 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 (1 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-20070258899-A1 Diagnostic and therapeutic agents YBX1, MLX, TPX2 HMGCR 4307/4885CHRM1 3997/4885TBXA2R 3684/4885

“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.