SCHEMBL7123522

SCHEMBL7123522

CC(C)(O)CNC1CCCCC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.45
PDK1 Q15118 1/20 0.40
PDK2 Q15119 1/20 0.40
PDK3 Q15120 1/20 0.40
PDK4 Q16654 1/20 0.40
CYP2D6 P10635 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
HTR1A P08908 1/20 0.39
PABPC1 P11940 1/20 0.38
EPHX1 P07099 2/20 0.38
DPP7 Q9UHL4 2/20 0.37
ANPEP P15144 2/20 0.36
ERAP2 Q6P179 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
HTT P42858 1/20 0.36
HSD17B10 Q99714 2/20 0.36
ALDH1A1 P00352 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL31122502 0.88
SCHEMBL18177820 0.81 KDM4E (0.43) KDM4EPDK1PDK2PDK3PDK4
SCHEMBL11053891 0.81 KDM4E (0.43) KDM4EPDK1PDK2PDK3PDK4
SCHEMBL17816574 0.79 PDK1 (0.47) KDM4EPDK1PDK2PDK3PDK4
SCHEMBL25087694 0.78 KDM4E (0.42) KDM4EPDK1PDK2PDK3PDK4
SCHEMBL15141802 0.78 OPRL1 (0.35) OPRK1
SCHEMBL9285591 0.78 KDM4E (0.39) KDM4ECYP2D6CYP1A2CYP2C9CYP2C19
SCHEMBL15114086 0.77 KDM4E (0.40) KDM4EPDK1PDK2PDK3PDK4
SCHEMBL11149818 0.77 KDM4E (0.40) KDM4EPDK1PDK2PDK3PDK4
SCHEMBL17642227 0.77 KDM4E (0.40) KDM4ECYP2D6CYP1A2CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230338373-A1 INHIBITOR OF INDOLEAMINE-2,3-DIOXYGENASE (IDO) INVENTISBIO LLC 2023-10-26 US disclosed
US-20220054486-A1 INHIBITOR OF INDOLEAMINE-2,3-DIOXYGENASE (IDO) INVENTISBIO LLC (US) 2022-02-24 US disclosed
US-11192877-B2 3-(5-hydroxy-1-oxoisoindolin-2-yl)piperidine-2,6-dione derivatives and uses thereof NOVARTIS AG (CH) 2021-12-07 US disclosed
US-10980807-B2 Inhibitor of indoleamine-2,3-dioxygenase (IDO) INVENTISBIO LLC (US) 2021-04-20 US disclosed
US-20200046697-A1 INHIBITOR OF INDOLEAMINE-2,3-DIOXYGENASE (IDO) INVENTISBIO LLC 2020-02-13 US disclosed
US-10399932-B2 Inhibitors of indoleamine-2,3-dioxygenase for the treatment of cancer BRISTOL-MYERS SQUIBB COMPANY (US) 2019-09-03 US disclosed
US-10399933-B2 Inhibitors of indoleamine-2,3-dioxygenase for the treatment of cancer BRISTOL-MYERS SQUIBB COMPANY (US) 2019-09-03 US disclosed
US-10167254-B2 IDO inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2019-01-01 US disclosed
CN-108093636-A Indoleamine 2, 3-dioxygenase inhibitors for the treatment of cancer 百时美施贵宝公司 2018-05-29 CN disclosed
US-20180079712-A1 INHIBITORS OF INDOLEAMINE-2,3-DIOXYGENASE FOR THE TREATMENT OF CANCER BRISTOL MYERS SQUIBB CO (US) 2018-03-22 US disclosed
WO-2017139414-A1 INHIBITOR OF INDOLEAMINE-2,3-DIOXYGENASE (IDO) INVENTISBIO INC. (KY) 2017-08-17 WO disclosed
WO-2016161279-A1 INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE FOR THE TREATMENT OF CANCER BRISTOL-MYERS SQUIBB COMPANY (US) 2016-10-06 WO disclosed
WO-2016161269-A1 INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE FOR THE TREATMENT OF CANCER BRISTOL-MYERS SQUIBB COMPANY (US) 2016-10-06 WO disclosed
WO-2016161286-A1 INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE FOR THE TREATMENT OF CANCER BRISTOL-MYERS SQUIBB COMPANY (US) 2016-10-06 WO disclosed
US-20160289171-A1 IDO INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2016-10-06 US disclosed
US-20030207865-A1 Substituted 2-arylimino heterocycles and compositions containing them for use as progesterone receptor binding agents DIXON BRIAN R (US) 2003-11-06 US disclosed
US-6353006-B1 TREATMENT OF BONE DISORDERS, OSTEOPOROSIS AND HEALING AGENT BAYER CORPORATION 2002-03-05 US disclosed
CN-1337955-A Substituted 2-arylimino heterocycles and compositions containing them, for use as progesterone receptor binding agents AMERICAN BAYER CORP (US) 2002-02-27 CN disclosed
EP-1144396-A2 SUBSTITUTED 2-ARYLIMINO HETEROCYCLES AND COMPOSITIONS CONTAINING THEM, FOR USE AS PROGESTERONE RECEPTOR BINDING AGENTS Bayer Corporation (US) 2001-10-17 EP disclosed
WO-2000042031-A2 SUBSTITUTED 2-ARYLIMINO HETEROCYCLES AND COMPOSITIONS CONTAINING THEM, FOR USE AS PROGESTERONE RECEPTOR BINDING AGENTS BAYER CORPORATION (US) 2000-07-20 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 (11 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-10167254-B2 IDO inhibitors IDO1, IDO2, INMT KDM4E 272/4885PDK1 202/4885PDK2 268/4885
US-20230338373-A1 INHIBITOR OF INDOLEAMINE-2,3-DIOXYGENASE (IDO) IDO1, IDO2, INMT KDM4E 430/4885PDK1 667/4885PDK2 469/4885
US-20030207865-A1 Substituted 2-arylimino heterocycles and compositions containing them for use as progesterone receptor binding agents PGR, PGRMC2, PGRMC1 KDM4E 2157/4885PDK1 977/4885PDK2 708/4885
US-20220054486-A1 INHIBITOR OF INDOLEAMINE-2,3-DIOXYGENASE (IDO) IDO1, IDO2, INMT KDM4E 430/4885PDK1 667/4885PDK2 469/4885
US-10399932-B2 Inhibitors of indoleamine-2,3-dioxygenase for the treatment of cancer IDO1, IDO2, INMT KDM4E 375/4885PDK1 344/4885PDK2 254/4885
US-20200046697-A1 INHIBITOR OF INDOLEAMINE-2,3-DIOXYGENASE (IDO) IDO1, IDO2, INMT KDM4E 430/4885PDK1 667/4885PDK2 469/4885
US-11192877-B2 3-(5-hydroxy-1-oxoisoindolin-2-yl)piperidine-2,6-dione derivatives and uses thereof XDH, HTR1D, RXFP1 KDM4E 3010/4885PDK1 857/4885PDK2 1160/4885
US-10399933-B2 Inhibitors of indoleamine-2,3-dioxygenase for the treatment of cancer IDO1, IDO2, INMT KDM4E 375/4885PDK1 344/4885PDK2 254/4885
US-20160289171-A1 IDO INHIBITORS IDO1, IDO2, INMT KDM4E 272/4885PDK1 202/4885PDK2 268/4885
US-10980807-B2 Inhibitor of indoleamine-2,3-dioxygenase (IDO) IDO1, IDO2, INMT KDM4E 430/4885PDK1 667/4885PDK2 469/4885
US-20180079712-A1 INHIBITORS OF INDOLEAMINE-2,3-DIOXYGENASE FOR THE TREATMENT OF CANCER IDO1, IDO2, INMT KDM4E 375/4885PDK1 344/4885PDK2 254/4885

“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.