SCHEMBL3056320

SCHEMBL3056320

C[C@H]1CC(=O)C[C@H](C)N1Cc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.44
CHRM4 P08173 1/20 0.44
CHRM5 P08912 1/20 0.44
ACHE P22303 1/20 0.44
ELANE P08246 2/20 0.44
F2 P00734 1/20 0.44
PLG P00747 1/20 0.44
CTSG P08311 1/20 0.44
CMA1 P23946 1/20 0.44
CTRC Q99895 1/20 0.44
KMT2A Q03164 2/20 0.43
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42
TSHR P16473 1/20 0.42
ALDH1A1 P00352 2/20 0.42
GAA P10253 1/20 0.42
MEN1 O00255 1/20 0.42
CSNK2A2 P19784 1/20 0.42
CSNK2B P67870 1/20 0.42
CSNK2A1 P68400 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
SCHEMBL3056314 1.00 CHRM2 (0.44) CHRM2CHRM4CHRM5ACHEELANE
SCHEMBL3056318 1.00 CHRM2 (0.44) CHRM2CHRM4CHRM5ACHEELANE
SCHEMBL15700421 1.00 CHRM2 (0.44) CHRM2CHRM4CHRM5ACHEELANE
SCHEMBL6204136 1.00 CHRM2 (0.44) CHRM2CHRM4CHRM5ACHEELANE
SCHEMBL14146467 0.89 KMT2A (0.45) CHRM2CHRM4CHRM5ELANEF2
SCHEMBL25368856 0.86 ACE (0.42) MAPTHPGDALDH1A1
SCHEMBL891774 0.82 MAPT (0.47) ACHEELANEF2PLGCTSG
SCHEMBL3061199 0.82 KMT2A (0.48) CHRM2CHRM4CHRM5ACHEELANE
SCHEMBL24699789 0.82 KMT2A (0.48) CHRM2CHRM4CHRM5ACHEELANE
SCHEMBL8936087 0.82 MAPT (0.47) ACHEELANEF2PLGCTSG

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 36 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119118999-A Benzamide derivatives of pyrazolyl-amino-pyrimidinyl and compositions and methods thereof 凌科药业(杭州)有限公司 2024-12-13 CN disclosed
CN-118955477-A Benzamide derivatives of pyrazolyl-amino-pyrimidinyl and compositions and methods thereof 凌科药业(杭州)有限公司 2024-11-15 CN disclosed
CN-118903141-A Benzamide derivatives of pyrazolyl-amino-pyrimidinyl and compositions and methods thereof 凌科药业(杭州)有限公司 2024-11-08 CN disclosed
CN-118903142-A Benzamide derivatives of pyrazolyl-amino-pyrimidinyl and compositions and methods thereof 凌科药业(杭州)有限公司 2024-11-08 CN disclosed
CN-113227074-B Benzamide derivatives of pyrazolyl-amino-pyrimidinyl and compositions and methods thereof 凌科药业(杭州)有限公司 2024-08-16 CN disclosed
CN-118388457-A Benzamide derivatives of pyrazolyl-amino-pyrimidinyl and compositions and methods thereof 凌科药业(杭州)有限公司 2024-07-26 CN disclosed
US-12030870-B2 Benzamides of pyrazolylamino-pyrimidinyl derivatives, and compositions and methods thereof LYNK PHARMACEUTICALS CO. LTD. (CN) 2024-07-09 US disclosed
US-12030870-B2 Benzamides of pyrazolylamino-pyrimidinyl derivatives, and compositions and methods thereof LYNK PHARMACEUTICALS CO. LTD. (CN) 2024-07-09 US disclosed
CN-118290403-A Benzamide derivatives of pyrazolyl-amino-pyrimidinyl and compositions and methods thereof 凌科药业(杭州)有限公司 2024-07-05 CN disclosed
US-20240165121-A1 SUBSTITUTED BENZENE COMPOUNDS EPIZYME INC (US) 2024-05-23 US disclosed
EP-3660004-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF ANDROGEN RECEPTOR Arvinas Operations, Inc. (US) 2020-06-03 EP disclosed
US-10092572-B2 Substituted benzene compounds Epizyme, Inc. (US) 2018-10-09 US disclosed
WO-2018071606-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF ANDROGEN RECEPTOR Arvinas, Inc. (US) 2018-04-19 WO disclosed
US-20180099940-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF ANDROGEN RECEPTOR ARVINAS OPERATIONS, INC. 2018-04-12 US disclosed
US-20150284370-A1 SUBSTITUTED BENZENE COMPOUNDS Epizyme, Inc. 2015-10-08 US disclosed
US-20100267747-A1 5-(Arylsulfonyl)-Pyrazolopiperidines ELAN PHARMACEUTICALS, INC. (US) 2010-10-21 US disclosed
US-7732609-B2 5-(arylsulfonyl)-pyrazolopiperidines ELAN PHARMACEUTICALS, INC. (US) 2010-06-08 US disclosed
US-20080306102-A1 NOVEL SPIROOXYINDOLE COMPOUNDS AND DRUGS CONTAINING SAME KOWA CO., LTD. (JP) 2008-12-11 US disclosed
US-20070155753-A1 5-(Arylsulfonyl)-Pyrazolopiperidines ELAN PHARMACEUTICALS, INC. 2007-07-05 US disclosed
US-20050277676-A1 M3muscarinic acetylcholine receptor antagonists GLAXO GROUP LIMITED (GB) 2005-12-15 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 (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-20150284370-A1 SUBSTITUTED BENZENE COMPOUNDS CYP1B1, TP53, VHL CHRM2 4165/4885CHRM4 4034/4885CHRM5 3084/4885
US-20080306102-A1 NOVEL SPIROOXYINDOLE COMPOUNDS AND DRUGS CONTAINING SAME HSD11B1, HSD11B2, HSD3B1 CHRM2 4348/4885CHRM4 4508/4885CHRM5 4136/4885
US-10092572-B2 Substituted benzene compounds CYP1B1, TP53, VHL CHRM2 4165/4885CHRM4 4034/4885CHRM5 3084/4885
US-20180099940-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF ANDROGEN RECEPTOR AR, ADRM1, CRBN CHRM2 3859/4885CHRM4 3270/4885CHRM5 3171/4885
US-20070155753-A1 5-(Arylsulfonyl)-Pyrazolopiperidines PSEN1, PSEN2, C1S CHRM2 11/4885CHRM4 106/4885CHRM5 10/4885
US-20050277676-A1 M3muscarinic acetylcholine receptor antagonists CHRM3, CHRM2, CHRM5 CHRM2 2/4885CHRM4 6/4885CHRM5 3/4885
US-12030870-B2 Benzamides of pyrazolylamino-pyrimidinyl derivatives, and compositions and methods thereof JAK2, JAK1, JAK3 CHRM2 4796/4885CHRM4 4848/4885CHRM5 4827/4885
US-20100267747-A1 5-(Arylsulfonyl)-Pyrazolopiperidines PSEN1, PSEN2, C1S CHRM2 11/4885CHRM4 106/4885CHRM5 10/4885
US-20240165121-A1 SUBSTITUTED BENZENE COMPOUNDS CYP1B1, TP53, VHL CHRM2 4165/4885CHRM4 4034/4885CHRM5 3084/4885

“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.