SCHEMBL26501262

SCHEMBL26501262

CC(C)OCCCN1CCC(C(=O)N2CCC(C(C)C)CC2)CC1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH2 P25021 4/20 0.44
HRH1 P35367 4/20 0.44
ALDH1A1 P00352 6/20 0.43
USP2 O75604 1/20 0.43
CYP3A4 P08684 1/20 0.41
CA12 O43570 2/20 0.40
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CA9 Q16790 2/20 0.40
MAPT P10636 1/20 0.40
BLM P54132 1/20 0.39
HSD11B1 P28845 1/20 0.38
HRH3 Q9Y5N1 2/20 0.38
TSHR P16473 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL26295698 0.89 ALDH1A1 (0.48) HRH2HRH1ALDH1A1USP2CA12
SCHEMBL25074975 0.86 HSD11B1 (0.46) ALDH1A1USP2MAPTBLMHSD11B1
SCHEMBL22890951 0.84 KDM1A (0.38) ALDH1A1MAPTHRH3
SCHEMBL26501252 0.84 HRH2 (0.42) HRH2HRH1ALDH1A1USP2CYP3A4
SCHEMBL25075431 0.82 HRH3 (0.48) HRH2HRH1ALDH1A1USP2CA12
SCHEMBL27051242 0.81 WNT1 (0.41) ALDH1A1USP2CYP3A4MAPTHSD11B1
SCHEMBL25075429 0.81 ALDH1A1 (0.52) ALDH1A1USP2HSD11B1SMN1; SMN2
SCHEMBL20739188 0.80 HRH3 (0.48) HRH2HRH1ALDH1A1CYP3A4MAPT
SCHEMBL25467828 0.80 GNAI3 (0.40) ALDH1A1HRH3
SCHEMBL26494246 0.79 POLB (0.48) HRH2HRH1ALDH1A1USP2BLM

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-20230321253-A1 BIFUNCTIONAL COMPOUNDS AND PHARMACEUTICAL USES THEREOF Risen (Suzhou) Pharma Tech Co., Ltd. (CN) 2023-10-12 US disclosed
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 HRH2 3216/4885HRH1 2655/4885ALDH1A1 3243/4885

“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.