SCHEMBL20057040

SCHEMBL20057040

CC(C)(C)OC(=O)N1CCC(CN2C(=O)C=CC2=O)CC1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.53
KDM4E B2RXH2 2/20 0.51
PKM P14618 1/20 0.51
MAPT P10636 1/20 0.49
THRB P10828 1/20 0.49
FPR2 P25090 1/20 0.47
GPR119 Q8TDV5 9/20 0.47
FAAH O00519 1/20 0.46
PTPN2 P17706 1/20 0.46
PTPN1 P18031 1/20 0.46
PTPN6 P29350 1/20 0.46
HPGD P15428 1/20 0.46

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
SCHEMBL16098021 0.86 NR1H2 (0.49) BACE1KDM4EPKMMAPTTHRB
SCHEMBL6150378 0.84 BACE1 (0.51) BACE1KDM4EPKMMAPTTHRB
SCHEMBL15600102 0.83 KDM4E (0.47) BACE1KDM4EPKMFPR2PTPN2
SCHEMBL15600079 0.83 KDM4E (0.47) BACE1KDM4EPKMFPR2PTPN2
SCHEMBL12635860 0.82 KDM4E (0.56) BACE1KDM4EPKMFPR2GPR119
SCHEMBL20057287 0.81 KDM4E (0.46) BACE1KDM4EPKMMAPTTHRB
SCHEMBL15600188 0.80 ACKR3 (0.45) BACE1KDM4EPKMMAPTPTPN2
SCHEMBL5573169 0.79 HPGD (0.53) KDM4EPKMMAPTTHRBGPR119
SCHEMBL21263570 0.79 FEN1 (0.43) MAPT
SCHEMBL2979718 0.79 BACE1 (0.47) BACE1KDM4EPKMMAPTTHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10449258-B2 Antibody drug conjugate, intermediate, preparation method, pharmaceutical composition and uses thereof XDCEXPLORER (SHANGHAI) CO., LTD. (CN) 2019-10-22 US disclosed
WO-2019154120-A1 CYTOTOXIC AGENT AND CONJUGATE THEREOF, PREPARATION METHOD THEREFOR AND USE THEREOF 四川科伦博泰生物医药股份有限公司 2019-08-15 WO disclosed
US-20180161446-A1 ANTIBODY DRUG CONJUGATE, INTERMEDIATE, PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USES THEREOF XDCEXPLORER (SHANGHAI) CO., LTD. (CN) 2018-06-14 US disclosed
US-20180161446-A1 ANTIBODY DRUG CONJUGATE, INTERMEDIATE, PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USES THEREOF XDCEXPLORER (SHANGHAI) CO., LTD. (CN) 2018-06-14 US disclosed
EP-3308801-A1 ANTIBODY DRUG CONJUGATE, INTERMEDIATE, PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USES THEREOF XDCExplorer (Shanghai) Co., Ltd. (CN) 2018-04-18 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 (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-10449258-B2 Antibody drug conjugate, intermediate, preparation method, pharmaceutical composition and uses thereof FCGR3B, SI, INCENP BACE1 2201/4885KDM4E 3451/4885PKM 3888/4885
US-20180161446-A1 ANTIBODY DRUG CONJUGATE, INTERMEDIATE, PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USES THEREOF FCGR3B, SI, INCENP BACE1 2201/4885KDM4E 3451/4885PKM 3888/4885

“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.