SCHEMBL21249903

SCHEMBL21249903

CC(C)(C)Cc1ccc2c(c1)CCN2

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.49
DRD4 P21917 1/20 0.49
ALDH1A1 P00352 2/20 0.39
ALOX15 P16050 2/20 0.39
KDM4E B2RXH2 2/20 0.39
MAPT P10636 2/20 0.39
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39
GAA P10253 1/20 0.39
THRB P10828 1/20 0.39
CASP1 P29466 1/20 0.39
HTT P42858 1/20 0.39
CASP7 P55210 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
ESR1 P03372 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37
ACHE P22303 4/20 0.36
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35

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
SCHEMBL13814905 0.90 MAPT (0.50) DRD2DRD4ALDH1A1ALOX15KDM4E
SCHEMBL25780903 0.86 SMN1; SMN2 (0.43) DRD2DRD4ESR1ACHEPARP11
SCHEMBL8529985 0.81 DRD2 (0.50) DRD2DRD4ALDH1A1ALOX15KDM4E
SCHEMBL395752 0.80 DRD2 (0.53) DRD2DRD4ALDH1A1ALOX15KDM4E
SCHEMBL12324805 0.80 DRD2 (0.57) DRD2DRD4ALDH1A1ALOX15KDM4E
SCHEMBL11322445 0.79 MAPT (0.54) DRD2DRD4ALDH1A1ALOX15KDM4E
SCHEMBL11327846 0.79 MAPT (0.54) DRD2DRD4ALDH1A1ALOX15KDM4E
SCHEMBL11524478 0.78 DRD2 (0.47) DRD2DRD4ALDH1A1ALOX15KDM4E
SCHEMBL19386434 0.78 PARP11 (0.61) PARP11
SCHEMBL2879973 0.78 MEN1 (0.50) DRD2DRD4ALDH1A1ALOX15KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230192703-A1 Polycyclic amide derivative as CDK9 inhibitor, preparation method therefor and use thereof Suzhou Alphama Biotechnology Co., Ltd. (CN) 2023-06-22 US disclosed
US-20220153729-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2022-05-19 US disclosed
US-11084804-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2021-08-10 US disclosed
US-20210024505-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2021-01-28 US disclosed
US-10703764-B2 Benzopiperazine compositions as BET bromodomain inhibitors FORMA THERAPEUTICS, INC. (US) 2020-07-07 US disclosed
US-20190330233-A1 BENZOPIPERAZINE COMPOSITIONS AS BET BROMODOMAIN INHIBITORS FORMA THERAPEUTICS, INC. 2019-10-31 US disclosed
US-10377769-B2 Benzopiperazine compositions as BET bromodomain inhibitors FORMA THERAPEUTICS, INC. (US) 2019-08-13 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 (7 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-20230192703-A1 Polycyclic amide derivative as CDK9 inhibitor, preparation method therefor and use thereof CDK9, CDK8, CDK19 DRD2 3710/4885DRD4 4205/4885ALDH1A1 4012/4885
US-20190330233-A1 BENZOPIPERAZINE COMPOSITIONS AS BET BROMODOMAIN INHIBITORS BRD4, BRPF3, BRD7 DRD2 1238/4885DRD4 1590/4885ALDH1A1 4041/4885
US-10703764-B2 Benzopiperazine compositions as BET bromodomain inhibitors BRD4, BRPF3, BRD7 DRD2 1238/4885DRD4 1590/4885ALDH1A1 4041/4885
US-20210024505-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 DRD2 4290/4885DRD4 4515/4885ALDH1A1 1786/4885
US-11084804-B2 Modulators of ATP-binding cassette transporters CFTR, ABCB1, ABCC2 DRD2 4290/4885DRD4 4515/4885ALDH1A1 1786/4885
US-10377769-B2 Benzopiperazine compositions as BET bromodomain inhibitors BRD4, BRPF3, BRD7 DRD2 1238/4885DRD4 1590/4885ALDH1A1 4041/4885
US-20220153729-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 DRD2 4290/4885DRD4 4515/4885ALDH1A1 1786/4885

“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.