SCHEMBL26501255

SCHEMBL26501255

CC(C)OCCCN1CCN(CC(=O)C(C)(C)C)CC1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
POLB P06746 1/20 0.39
HRH3 Q9Y5N1 2/20 0.36
HRH2 P25021 12/20 0.36
HRH1 P35367 12/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
PKM P14618 1/20 0.36
ALOX15 P16050 1/20 0.36
CYP2C19 P33261 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
TP53 P04637 1/20 0.36
DRD2 P14416 1/20 0.35
LMNA P02545 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
MAPK1 P28482 1/20 0.34
HTT P42858 1/20 0.34

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
SCHEMBL26741730 0.80 MEN1 (0.41) ALDH1A1HRH3HRH2HRH1SMN1; SMN2
SCHEMBL26501254 0.78 GAA (0.37) ALDH1A1HRH3HRH2HRH1ALOX15
SCHEMBL26743000 0.78 CHRM5 (0.53) ALDH1A1HRH3HRH2HRH1SMN1; SMN2
SCHEMBL26501256 0.77 HRH2 (0.39) HRH3HRH2HRH1DRD2
SCHEMBL470994 0.77 EPHX2 (0.44) ALDH1A1HRH2HRH1SMN1; SMN2MAPT
SCHEMBL29316649 0.76 SIGMAR1 (0.40) ALDH1A1CYP3A4CYP2D6ALOX15CYP2C19
SCHEMBL4086161 0.76 ALDH1A1 (0.54) ALDH1A1POLBCYP3A4CYP2D6PKM
SCHEMBL24966180 0.76 ALDH1A1 (0.43) ALDH1A1POLBCYP3A4CYP2D6PKM
SCHEMBL21421559 0.76 HRH2 (0.35) HRH3HRH2HRH1
SCHEMBL26743342 0.75 HRH2 (0.40) ALDH1A1HRH2HRH1PKMALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230321253-A1 BIFUNCTIONAL COMPOUNDS AND PHARMACEUTICAL USES THEREOF Risen (Suzhou) Pharma Tech Co., Ltd. (CN) 2023-10-12 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-20230321253-A1 BIFUNCTIONAL COMPOUNDS AND PHARMACEUTICAL USES THEREOF KRAS, MDM2, NRAS ALDH1A1 3243/4885POLB 2030/4885HRH3 3236/4885

“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.