SCHEMBL24435951

SCHEMBL24435951

CC(C)N1CCCCN(C(C)C)CCC1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 3/20 0.40
SIGMAR1 Q99720 1/20 0.36
CYP2D6 P10635 4/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
PKM P14618 1/20 0.34
CHRM1 P11229 1/20 0.33
FDPS P14324 2/20 0.32
HRH3 Q9Y5N1 7/20 0.32
KCNH2 Q12809 3/20 0.31
CYP1A2 P05177 2/20 0.31
CYP3A4 P08684 2/20 0.31
CYP2C9 P11712 2/20 0.31
KCNA5 P22460 2/20 0.31
CYP2C19 P33261 2/20 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
SCHEMBL57304 0.96
SCHEMBL13290565 0.96 CHRNA7 (0.42) CHRNA7SIGMAR1CYP2D6KDM4EALDH1A1
SCHEMBL4911003 0.96
SCHEMBL24496310 0.96 CHRNA7 (0.42) CHRNA7SIGMAR1CYP2D6KDM4EALDH1A1
SCHEMBL104677 0.96
SCHEMBL1093168 0.96
SCHEMBL840178 0.96 CHRNA7 (0.42) CHRNA7SIGMAR1CYP2D6KDM4EALDH1A1
SCHEMBL840412 0.93 CHRNA7 (0.41) CHRNA7SIGMAR1CYP2D6KDM4EALDH1A1
SCHEMBL21973884 0.93 CHRNA7 (0.40) CHRNA7SIGMAR1CYP2D6KDM4EALDH1A1
Bromide SCHEMBL2813935 0.93

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
WO-2024148060-A1 MK2 DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2024-07-11 WO disclosed
US-20220153741-A1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF KRAS G12C GUANGDONG NEWOPP BIOPHARMACEUTICALS CO., LTD. (CN) 2022-05-19 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 (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-20220153741-A1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS CHRNA7 4876/4885SIGMAR1 4779/4885CYP2D6 4240/4885

“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.