SCHEMBL4591222

SCHEMBL4591222

CC(C)(C)N1CCN(Cc2ccc(O)cc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 1/20 0.50
LMNA P02545 2/20 0.44
ALDH1A1 P00352 2/20 0.44
POLB P06746 1/20 0.44
SIGMAR1 Q99720 2/20 0.44
HRH3 Q9Y5N1 2/20 0.44
ACHE P22303 1/20 0.43
BACE1 P56817 1/20 0.43
GAA P10253 1/20 0.43
CCR2 P41597 1/20 0.43
KDM4E B2RXH2 1/20 0.42
MAPT P10636 1/20 0.42
ESR1 P03372 1/20 0.42

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
SCHEMBL5428090 0.84 DRD4 (0.63) DRD4LMNAALDH1A1POLBSIGMAR1
SCHEMBL25860058 0.84 ALDH1A1 (0.65) LMNAALDH1A1POLBGAA
SCHEMBL2234131 0.84 LMNA (0.46) LMNAALDH1A1POLBSIGMAR1HRH3
SCHEMBL10245285 0.82 MAPT (0.53) GAAKDM4EMAPT
SCHEMBL21287946 0.82 LMNA (0.47) LMNAALDH1A1POLBSIGMAR1HRH3
SCHEMBL20314570 0.82 KCNH2 (0.51) DRD4LMNAALDH1A1POLBSIGMAR1
SCHEMBL855234 0.81 SIGMAR1 (0.69) DRD4LMNAALDH1A1POLBSIGMAR1
SCHEMBL3663957 0.81 LPL (0.43) LMNAALDH1A1POLBSIGMAR1HRH3
Water SCHEMBL27829325 0.81 SIGMAR1 (0.43) LMNAALDH1A1POLBSIGMAR1HRH3
Hydrochloric Acid SCHEMBL4074661 0.80 SIGMAR1 (0.67) DRD4LMNAALDH1A1POLBSIGMAR1

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
US-20230219894-A1 DISUBSTITUTED ADAMANTYL DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, AND PHARMACEUTICAL COMPOSITION FOR SUPPRESSING CANCER GROWTH COMPRISING SAME AS ACTIVE INGREDIENT ONECUREGEN CO., LTD. (KR) 2023-07-13 US disclosed
EP-1910334-A2 COMPOUNDS AND METHODS FOR TREATMENT OF AMYLOID-BETA-PEPTIDE RELATED DISORDERS Exonhit Therapeutics SA (FR) 2008-04-16 EP disclosed
WO-2007034329-A2 COMPOUNDS AND METHODS FOR TREATMENT OF AMYLOID-BETA-PEPTIDE RELATED DISORDERS EXONHIT THERAPEUTICS SA (FR) 2007-03-29 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-20230219894-A1 DISUBSTITUTED ADAMANTYL DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, AND PHARMACEUTICAL COMPOSITION FOR SUPPRESSING CANCER GROWTH COMPRISING SAME AS ACTIVE INGREDIENT AK2, CS, GOT2 DRD4 4258/4885LMNA 3870/4885ALDH1A1 509/4885

“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.