SCHEMBL25219142

SCHEMBL25219142

CCOC(=O)CC(CN1CCN(c2ccccc2)CC1)N1CCCCC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
TSHR P16473 2/20 0.47
ATM Q13315 1/20 0.43
KDM4E B2RXH2 2/20 0.43
MAPT P10636 3/20 0.43
ADRA2A P08913 1/20 0.43
ADRA2B P18089 1/20 0.43
ADRA2C P18825 1/20 0.43
GFER P55789 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
HTR7 P34969 1/20 0.43
CHRNA7 P36544 1/20 0.43
ADRB2 P07550 1/20 0.42
ADRB1 P08588 1/20 0.42
ADRB3 P13945 1/20 0.42
ADRA1D P25100 1/20 0.42
ADRA1A P35348 1/20 0.42
ADRA1B P35368 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
SCHEMBL25257388 0.88 TSHR (0.50) ALDH1A1TSHRMAPTADRA2AADRA2B
SCHEMBL25214889 0.88 TSHR (0.50) ALDH1A1TSHRMAPTADRA2AADRA2B
SCHEMBL25273515 0.86 TSHR (0.51) ALDH1A1TSHRKDM4EMAPTADRA2A
SCHEMBL25269216 0.85 KCNH2 (0.45) ALDH1A1TSHRMAPTMEN1KMT2A
SCHEMBL25670050 0.82 MAPT (0.50) ALDH1A1TSHRKDM4EMAPTGFER
SCHEMBL25223875 0.81 MEN1 (0.55) ALDH1A1KDM4EMAPTL3MBTL1MEN1
SCHEMBL25222824 0.81 MAPT (0.49) ALDH1A1TSHRKDM4EMAPTGFER
SCHEMBL25222679 0.81 IGF1R (0.45) ALDH1A1TSHRMAPTMEN1KMT2A
SCHEMBL25261684 0.81 MEN1 (0.48) TSHRKDM4EMAPTMEN1KMT2A
SCHEMBL25670048 0.79 MAPT (0.49) TSHRKDM4EMAPTL3MBTL1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250136575-A1 (DI)AMINATION OF ACTIVATED ALLENE COMPOUNDS, DERIVATIVES THEREOF, AND METHODS FOR SYNTHESIS OF THE SAME PURDUE RESEARCH FOUNDATION 2025-05-01 US disclosed
US-12180182-B2 (Di)amination of activated allene compounds, derivatives thereof, and methods for synthesis of the same PURDUE RESEARCH FOUNDATION (US) 2024-12-31 US disclosed
US-20230174506-A1 (DI)AMINATION OF ACTIVATED ALLENE COMPOUNDS, DERIVATIVES THEREOF, AND METHODS FOR SYNTHESIS OF THE SAME PURDUE RESEARCH FOUNDATION 2023-06-08 US disclosed
US-20230174506-A1 (DI)AMINATION OF ACTIVATED ALLENE COMPOUNDS, DERIVATIVES THEREOF, AND METHODS FOR SYNTHESIS OF THE SAME PURDUE RESEARCH FOUNDATION 2023-06-08 US disclosed
US-20230174506-A1 (DI)AMINATION OF ACTIVATED ALLENE COMPOUNDS, DERIVATIVES THEREOF, AND METHODS FOR SYNTHESIS OF THE SAME PURDUE RESEARCH FOUNDATION 2023-06-08 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 (3 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-20230174506-A1 (DI)AMINATION OF ACTIVATED ALLENE COMPOUNDS, DERIVATIVES THEREOF, AND METHODS FOR SYNTHESIS OF THE SAME NAAA, PAM, AANAT ALDH1A1 583/4885TSHR 2823/4885ATM 278/4885
US-12180182-B2 (Di)amination of activated allene compounds, derivatives thereof, and methods for synthesis of the same NAAA, PAM, AANAT ALDH1A1 583/4885TSHR 2823/4885ATM 278/4885
US-20250136575-A1 (DI)AMINATION OF ACTIVATED ALLENE COMPOUNDS, DERIVATIVES THEREOF, AND METHODS FOR SYNTHESIS OF THE SAME NAAA, PAM, AANAT ALDH1A1 583/4885TSHR 2823/4885ATM 278/4885

“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.