SCHEMBL24733232

SCHEMBL24733232

CC(C)N1CCC(C#N)[C@@H](O)CC1

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.37
CYP2D6 P10635 1/20 0.31
KCNH2 Q12809 1/20 0.31
CHRNA7 P36544 1/20 0.31
DPP4 P27487 1/20 0.30
NSD2 O96028 1/20 0.30

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
SCHEMBL25784008 1.00 HRH3 (0.37) HRH3CYP2D6KCNH2CHRNA7DPP4
SCHEMBL24734672 1.00 HRH3 (0.37) HRH3CYP2D6KCNH2CHRNA7DPP4
SCHEMBL24733200 0.87 HRH3 (0.33) HRH3
SCHEMBL25784996 0.87 HRH3 (0.33) HRH3
SCHEMBL104775 0.79 HRH3 (0.43) HRH3CYP2D6KCNH2CHRNA7DPP4
SCHEMBL24733191 0.79 CHRNA7 (0.39) HRH3CYP2D6KCNH2CHRNA7
SCHEMBL24733229 0.79 CHRNA7 (0.39) HRH3CYP2D6KCNH2CHRNA7
SCHEMBL24789555 0.79 CHRNA7 (0.39) HRH3CYP2D6KCNH2CHRNA7
SCHEMBL24734655 0.79 CHRNA7 (0.39) HRH3CYP2D6KCNH2CHRNA7
SCHEMBL26890005 0.78 HRH3 (0.38) HRH3NSD2

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11912723-B2 KRAS modulators and uses thereof QUANTA THERAPEUTICS, INC. (US) 2024-02-27 US disclosed
US-11912723-B2 KRAS modulators and uses thereof QUANTA THERAPEUTICS, INC. (US) 2024-02-27 US disclosed
WO-2023230190-A1 PYRIMIDINE BASED MODULATORS AND USES THEREOF QUANTA THERAPEUTICS, INC. (US) 2023-11-30 WO disclosed
US-20230374042-A1 KRAS MODULATORS AND USES THEREOF QUANTA THERAPEUTICS, INC. 2023-11-23 US disclosed
US-20230374042-A1 KRAS MODULATORS AND USES THEREOF QUANTA THERAPEUTICS, INC. 2023-11-23 US disclosed
WO-2023154766-A1 KRAS MODULATORS AND USES THEREOF QUANTA THERAPEUTICS, INC. (US) 2023-08-17 WO disclosed
WO-2022256459-A1 KRAS MODULATORS AND USES THEREOF QUANTA THERAPEUTICS, INC. (US) 2022-12-08 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 (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-20230374042-A1 KRAS MODULATORS AND USES THEREOF KRAS, NRAS, HRAS HRH3 2573/4885CYP2D6 3131/4885KCNH2 4497/4885
US-11912723-B2 KRAS modulators and uses thereof KRAS, NRAS, HRAS HRH3 2573/4885CYP2D6 3131/4885KCNH2 4497/4885

“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.