SCHEMBL3624697

SCHEMBL3624697

CC(N)CC(=O)OC(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.47
HDAC3 O15379 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA7 P43166 1/20 0.36
NOS1 P29475 2/20 0.35
NOS3 P29474 1/20 0.35
NOS2 P35228 1/20 0.35
MLYCD O95822 7/20 0.33
GABRP O00591 2/20 0.33
GABRD O14764 2/20 0.33
GABRA1 P14867 2/20 0.33
GABRB1 P18505 2/20 0.33
GABRG2 P18507 2/20 0.33
GABRB3 P28472 2/20 0.33
GABRA5 P31644 2/20 0.33

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
SCHEMBL318355 1.00 CYP2D6 (0.47) CYP2D6HDAC3HDAC1HDAC2HDAC8
SCHEMBL1964905 1.00 CYP2D6 (0.47) CYP2D6HDAC3HDAC1HDAC2HDAC8
SCHEMBL27764226 0.85 CYP2D6 (0.37) CYP2D6HDAC3HDAC1HDAC2HDAC8
SCHEMBL2331892 0.84 CYP2D6 (0.44) CYP2D6HDAC3HDAC1HDAC2HDAC8
SCHEMBL31301962 0.84 CYP2D6 (0.44) CYP2D6HDAC3HDAC1HDAC2HDAC8
SCHEMBL28836831 0.84 CYP2D6 (0.42) CYP2D6HDAC3HDAC1HDAC2HDAC8
SCHEMBL16449787 0.84 CYP2D6 (0.42) CYP2D6HDAC3HDAC1HDAC2HDAC8
SCHEMBL31698005 0.84 CYP2D6 (0.42) CYP2D6HDAC3HDAC1HDAC2HDAC8
SCHEMBL26765471 0.83 CYP2D6 (0.45) CYP2D6HDAC3HDAC1HDAC2HDAC8
SCHEMBL7328149 0.83 CYP2D6 (0.49) CYP2D6HDAC3HDAC1HDAC2HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12110525-B2 Method for enzymatic preparation of R-3 aminobutyric acid Abiochem Biotechnology (Group) Co., Ltd. (CN) 2024-10-08 US disclosed
CN-113286792-B N-chromen-4-one containing derivatives for the treatment and prevention of hepatitis b virus infection 豪夫迈·罗氏有限公司 2023-12-05 CN disclosed
WO-2023179366-A1 OXADIAZOLE DERIVATIVE, PREPARATION METHOD THEREFOR AND USE THEREOF 星希尔生物科技(上海)有限公司 2023-09-28 WO disclosed
EP-3894402-B1 N-CONTAINING CHROMEN-4-ONE DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION HOFFMANN LA ROCHE (CH) 2023-07-05 EP disclosed
US-20230102309-A1 TYROSINE KINASE INHIBITOR CONJUGATES Ascendis Pharma Oncology Division A/S (DE) 2023-03-30 US disclosed
US-20230065814-A1 CONJUGATES OF-ELECTRON-PAIR-DONATING HETEROAROMATIC NITROGEN-COMPRISING COMPOUNDS ASCENDIS PHARMA A/S (DK) 2023-03-02 US disclosed
CN-109576317-B Method for preparing R-3-aminobutyric acid by enzyme method 弈柯莱(台州)药业有限公司 2023-01-06 CN disclosed
US-20220169639-A1 N-CONTAINING CHROMEN-4-ONE DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION HOFFMANN-LA ROCHE INC. (US) 2022-06-02 US disclosed
CN-112725322-B Aspartase mutant, coding gene and engineering bacterium 天津大学 2022-05-10 CN disclosed
EP-3986477-A1 CONJUGATES OF pi-ELECTRON-PAIR-DONATING HETEROAROMATIC NITROGEN-COMPRISING COMPOUNDS Ascendis Pharma A/S (DK) 2022-04-27 EP disclosed
CN-1227248-C Imidazolidine derivatives, their preparation, and their use as antinflamatory agent AVENTIS PHARMA GMBH (DE) 2005-11-16 CN disclosed
WO-2005095395-A2 TETRAHYDRONAPHTHYRIDINE DERIVATIVES AS CHOLESTERYL ESTER TRANSFER PROTEIN INHIBITORS TANABE SEIYAKU CO., LTD. (JP) 2005-10-13 WO disclosed
CN-1221535-C Spiroimidazolidine derivatives, their preparation, their use and pharmaceutical preparations comprising them AVENTIS PHARMA GMBH (DE) 2005-10-05 CN disclosed
CN-1537000-A Novel imidazolidine derivatives, their preparation and their use as VLA-4 antagonists ������ҽҩ�¹����޹�˾ 2004-10-13 CN disclosed
CN-1496360-A Imidazolidine derivatives, their preparation, and their use as antinflamatory agent ������ҽҩ�¹����޹�˾ 2004-05-12 CN disclosed
CN-1484645-A Novel beta-lactam compound and process for producing the same ס����ҩ��ʽ���� 2004-03-24 CN disclosed
CN-1356986-A Spiroimidazolidine derivatives, their prepn. their use and pharmaceutical prepns. comprising them AVENTIS PHARMA GMBH (DE) 2002-07-03 CN disclosed
CN-1225360-A Substituted imidazolidine derivatives, their prepn., their use and pharmaceutical prepn. comprising them HOECHST MARION ROUSSEL DE GMBH (DE) 1999-08-11 CN disclosed
EP-0400290-A1 5-Amino-4-hydroxyvalerianic acid derivatives useful as intermediates in the preparation of renin inhibitors CIBA-GEIGY AG (CH) 1990-12-05 EP disclosed
EP-0143746-A2 5-Amino 4-hydroxy-valeryl-substituted derivatives CIBA-GEIGY AG (CH) 1985-06-05 EP 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-20220169639-A1 N-CONTAINING CHROMEN-4-ONE DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION HAVCR2, NR0B1, CYP7A1 CYP2D6 165/4885HDAC3 1290/4885HDAC1 1284/4885
US-20230102309-A1 TYROSINE KINASE INHIBITOR CONJUGATES ABL1, ERBB2, ROS1 CYP2D6 1667/4885HDAC3 1150/4885HDAC1 569/4885
US-20230065814-A1 CONJUGATES OF-ELECTRON-PAIR-DONATING HETEROAROMATIC NITROGEN-COMPRISING COMPOUNDS NQO1, NCL, ABCB1 CYP2D6 5/4885HDAC3 1162/4885HDAC1 2080/4885

“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.