SCHEMBL9901654

SCHEMBL9901654

c1ccc(CN2CCn3nccc3C2)cc1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.53
COMT P21964 1/20 0.48
MC4R P32245 1/20 0.46
DRD4 P21917 3/20 0.45
POLB P06746 2/20 0.45
LMNA P02545 1/20 0.45
ALDH1A1 P00352 3/20 0.44
TDP1 Q9NUW8 1/20 0.44
DRD2 P14416 2/20 0.43
DRD3 P35462 2/20 0.43
KCNH2 Q12809 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
SCHEMBL14234863 0.76 DRD2 (0.42) DRD4ALDH1A1DRD2DRD3
SCHEMBL25054455 0.76 CYP1A2 (0.43) SIGMAR1POLBALDH1A1
SCHEMBL20691668 0.74 LMNA (0.49) SIGMAR1COMTMC4RDRD4POLB
SCHEMBL31328891 0.74 SIGMAR1 (0.49) SIGMAR1COMTMC4RDRD4POLB
SCHEMBL1991840 0.73 SIGMAR1 (0.52) SIGMAR1COMTMC4RDRD4POLB
SCHEMBL17926166 0.73 L3MBTL1 (0.43) POLBALDH1A1DRD3KCNH2
SCHEMBL16682605 0.73 SIGMAR1 (0.47) SIGMAR1COMTMC4RDRD4POLB
SCHEMBL2489199 0.72 SIGMAR1 (1.00) SIGMAR1MC4RDRD4POLBLMNA
SCHEMBL1415730 0.72 SIGMAR1 (1.00) SIGMAR1MC4RDRD4POLBLMNA
SCHEMBL8188324 0.72 SIGMAR1 (1.00) SIGMAR1MC4RDRD4POLBLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240293381-A1 Therapeutic Compounds CELGENE QUANTICEL RES INC (US) 2024-09-05 US disclosed
CN-114853730-B Compounds used as HPK1 kinase inhibitor, preparation method and application thereof 中国药科大学 2024-03-26 CN disclosed
US-11890275-B2 Therapeutic compounds CELGENE QUANTICEL RESEARCH, INC. 2024-02-06 US disclosed
US-11584744-B2 Inhibitors of type 1 methionyl-tRNA synthetase and methods of using them UNIVERSITY OF WASHINGTON (US) 2023-02-21 US disclosed
US-11584744-B2 Inhibitors of type 1 methionyl-tRNA synthetase and methods of using them UNIVERSITY OF WASHINGTON (US) 2023-02-21 US disclosed
CN-114853730-A Compound used as HPK1 kinase inhibitor and preparation method and application thereof 中国药科大学 2022-08-05 CN disclosed
US-20210205284-A1 THERAPEUTIC COMPOUNDS CELGENE QUANTICEL RESEARCH, INC. (US) 2021-07-08 US disclosed
US-20210205284-A1 THERAPEUTIC COMPOUNDS CELGENE QUANTICEL RESEARCH, INC. (US) 2021-07-08 US disclosed
US-11020380-B2 Therapeutic compounds CELGENE QUANTICEL RESEARCH, INC. (US) 2021-06-01 US disclosed
US-11020380-B2 Therapeutic compounds CELGENE QUANTICEL RESEARCH, INC. (US) 2021-06-01 US disclosed
US-20210155617-A1 INHIBITORS OF TYPE l METHIONYL-TRNA SYNTHETASE AND METHODS OF USING THEM UNIVERSITY OF WASHINGTON 2021-05-27 US disclosed
US-20210155617-A1 INHIBITORS OF TYPE l METHIONYL-TRNA SYNTHETASE AND METHODS OF USING THEM UNIVERSITY OF WASHINGTON 2021-05-27 US disclosed
US-20200163946-A1 THERAPEUTIC COMPOUNDS CELGENE QUANTICEL RESEARCH, INC. (US) 2020-05-28 US disclosed
US-20200163946-A1 THERAPEUTIC COMPOUNDS CELGENE QUANTICEL RESEARCH, INC. (US) 2020-05-28 US disclosed
US-10617680-B2 Therapeutic compounds CELGENE QUANTICEL RESEARCH, INC. (US) 2020-04-14 US disclosed
US-10617680-B2 Therapeutic compounds CELGENE QUANTICEL RESEARCH, INC. (US) 2020-04-14 US disclosed
WO-2018237349-A1 INHIBITORS OF TYPED 1 METHIONYL-TRNA SYNTHETASE AND METHODS OF USING THEM UNIVERSITY OF WASHINGTON (US) 2018-12-27 WO disclosed
US-20180296543-A1 THERAPEUTIC COMPOUNDS CELGENE QUANTICEL RESEARCH, INC. 2018-10-18 US disclosed
EP-2648723-A1 BICYCLIC PYRAZOLE COMPOUNDS AS ALLOSTERIC MODULATORS OF MGLUR5 RECEPTORS Vanderbilt University (US) 2013-10-16 EP disclosed
WO-2012078817-A1 BICYCLIC PYRAZOLE COMPOUNDS AS ALLOSTERIC MODULATORS OF MGLUR5 RECEPTORS VANDERBILT UNIVERSITY (US) 2012-06-14 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 (9 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-11020380-B2 Therapeutic compounds EP300, BRD4, BRD3 SIGMAR1 4469/4885COMT 4076/4885MC4R 3317/4885
US-20240293381-A1 Therapeutic Compounds EP300, BRD4, BRD3 SIGMAR1 4469/4885COMT 4076/4885MC4R 3317/4885
US-20200163946-A1 THERAPEUTIC COMPOUNDS EP300, BRD4, BRD3 SIGMAR1 4469/4885COMT 4076/4885MC4R 3317/4885
US-11584744-B2 Inhibitors of type 1 methionyl-tRNA synthetase and methods of using them AARS1, EMG1, GARS1 SIGMAR1 1912/4885COMT 868/4885MC4R 1707/4885
US-20180296543-A1 THERAPEUTIC COMPOUNDS EP300, BRD4, BRD3 SIGMAR1 4469/4885COMT 4076/4885MC4R 3317/4885
US-20210205284-A1 THERAPEUTIC COMPOUNDS EP300, BRD4, BRD3 SIGMAR1 4469/4885COMT 4076/4885MC4R 3317/4885
US-10617680-B2 Therapeutic compounds EP300, BRD4, BRD3 SIGMAR1 4469/4885COMT 4076/4885MC4R 3317/4885
US-11890275-B2 Therapeutic compounds EP300, BRD4, BRD3 SIGMAR1 4469/4885COMT 4076/4885MC4R 3317/4885
US-20210155617-A1 INHIBITORS OF TYPE l METHIONYL-TRNA SYNTHETASE AND METHODS OF USING THEM AARS1, GARS1, MTR SIGMAR1 2516/4885COMT 719/4885MC4R 1545/4885

“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.