SCHEMBL21764402

SCHEMBL21764402

CC(C)(C)C(=O)c1ccc(CCN)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 9/20 0.47
BACE1 P56817 2/20 0.47
CYP1A2 P05177 2/20 0.47
CYP2A6 P11509 2/20 0.47
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
HTR1A P08908 1/20 0.47
ADRA2A P08913 1/20 0.47
SLC6A2 P23975 1/20 0.47
CYP2C19 P33261 1/20 0.47
HTR3A P46098 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
BLM P54132 1/20 0.45
KMT2A Q03164 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
NOS3 P29474 2/20 0.43
NOS1 P29475 2/20 0.43
NOS2 P35228 2/20 0.43
ESRRG P62508 1/20 0.43
HTR2A P28223 4/20 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
SCHEMBL9808692 0.87 TAAR1 (0.45) TAAR1BACE1CYP1A2CYP2A6KDM4E
SCHEMBL11658423 0.84 LOXL2 (0.55) KDM4EKMT2ANOS3NOS1NOS2
SCHEMBL13543227 0.82 PLK1 (0.56) KDM4EALDH1A1L3MBTL1KMT2ATDP1
Hydrochloric Acid SCHEMBL11656241 0.82 LOXL2 (0.53) KDM4EKMT2ANOS3NOS1NOS2
SCHEMBL22677184 0.81 HDAC1 (0.55) ALDH1A1ESRRG
SCHEMBL18701020 0.81 MLYCD (0.42) SLC6A2ESRRG
SCHEMBL12680298 0.79 CYP24A1 (0.49) ALDH1A1L3MBTL1ESRRG
SCHEMBL11884571 0.79 NR1H4 (0.55) ALDH1A1L3MBTL1CA1CA2
SCHEMBL25867921 0.79 CYP4A11 (0.59) ESRRGCA2
SCHEMBL10001142 0.79 RARB (0.59) ALDH1A1KMT2A

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-11147889-B2 Albumin-binding PSMA inhibitors CANCER TARGETED TECHNOLOGY LLC (US) 2021-10-19 US disclosed
US-20200061218-A1 Albumin-Binding PSMA Inhibitors CANCER TARGETED TECHNOLOGY LLC 2020-02-27 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 (2 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-11147889-B2 Albumin-binding PSMA inhibitors PSMA1, ALB, PSMA2 TAAR1 2102/4885BACE1 859/4885CYP1A2 4432/4885
US-20200061218-A1 Albumin-Binding PSMA Inhibitors PSMA1, ALB, PSMA2 TAAR1 2102/4885BACE1 859/4885CYP1A2 4432/4885

“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.