SCHEMBL830155

SCHEMBL830155

CC(C)(C)OC(=O)N1CCC(c2ccccc2)C1C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RORC P51449 1/20 0.46
GPR119 Q8TDV5 1/20 0.46
RIPK1 Q13546 3/20 0.46
TACR1 P25103 4/20 0.43
NR1H2 P55055 3/20 0.43
NR1H3 Q13133 2/20 0.43
KDM1A O60341 1/20 0.43
MAOB P27338 1/20 0.43
KDM4E B2RXH2 1/20 0.42
PKM P14618 1/20 0.42
HCRTR2 O43614 1/20 0.41
GRM5 P41594 2/20 0.41

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
SCHEMBL14343619 1.00 RORC (0.46) RORCGPR119RIPK1TACR1NR1H2
SCHEMBL830156 1.00 RORC (0.46) RORCGPR119RIPK1TACR1NR1H2
SCHEMBL30700513 1.00 RORC (0.46) RORCGPR119RIPK1TACR1NR1H2
SCHEMBL2299757 1.00 RORC (0.46) RORCGPR119RIPK1TACR1NR1H2
SCHEMBL29063356 1.00 RORC (0.46) RORCGPR119RIPK1TACR1NR1H2
SCHEMBL4198304 1.00 RORC (0.46) RORCGPR119RIPK1TACR1NR1H2
SCHEMBL1595217 1.00 RORC (0.46) RORCGPR119RIPK1TACR1NR1H2
SCHEMBL15185071 1.00 RORC (0.46) RORCGPR119RIPK1TACR1NR1H2
SCHEMBL829709 0.92 RIPK1 (0.51) RORCGPR119RIPK1HCRTR2
SCHEMBL829779 0.92 RIPK1 (0.51) RORCGPR119RIPK1HCRTR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3533797-B1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2023-12-20 EP disclosed
CN-116685576-A Cysteine protease inhibitors and methods of use thereof 美商帕迪斯生物科学公司 2023-09-01 CN disclosed
EP-3533797-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2019-09-04 EP disclosed
EP-2540728-B1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2019-04-10 EP disclosed
US-9758480-B2 1-(cycloalkyl-carbonyl)proline derivative SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2017-09-12 US disclosed
US-20170209452-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2017-07-27 US disclosed
US-9655900-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-05-23 US disclosed
US-20160310494-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2016-10-27 US disclosed
US-9388195-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-07-12 US disclosed
US-20150210640-A1 1-(CYCLOALKYL-CARBONYL)PROLINE DERIVATIVE SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2015-07-30 US disclosed
EP-1389200-A1 SUBSTITUTED N-ARYLSULFONYL-PROLINE DERIVATIVES AS POTENT CELL ADHESION INHIBITORS Merck & Co., Inc. (US) 2004-02-18 EP disclosed
US-6515011-B2 Anticoagulants MERCK & CO., INC. 2003-02-04 US disclosed
WO-2002074761-A1 SUBSTITUTED N-ARYLSULFONYL-PROLINE DERIVATIVES AS POTENT CELL ADHESION INHIBITORS MERCK & CO., INC. (US) 2002-09-26 WO disclosed
US-20020119992-A1 Thrombin inhibitors MERCK & CO., INC. 2002-08-29 US disclosed
WO-2002050056-A1 BENZYLAMINE DERIVATIVES AND THEIR USE AS THROMBIN INHIBITORS MERCK & CO., INC. (US) 2002-06-27 WO disclosed
US-6329502-B1 VIRICIDES AGAINST HUMAN IMMUNODEFICIENCY VIRUS; TREATMENT OF AIDS (ACQUIRED IMMUNE DEFICIENCY SYNDROME) JAPAN ENERGY CORPORATION (JP) 2001-12-11 US disclosed
US-6313094-B1 COMPOSITION FOR INHIBITING HUMAN IMMUNODEFICIENCY VIRUS REPLICATION JAPAN ENERGY CORPORATION (JP) 2001-11-06 US disclosed
EP-0490667-B1 HIV protease inhibitors JAPAN ENERGY CORP (JP) 1999-06-09 EP disclosed
WO-1993020099-A2 CCK AND/OR GASTRIN RECEPTOR LIGANDS FERRING B.V. (NL) 1993-10-14 WO disclosed
EP-0490667-A2 HIV protease inhibitors JAPAN ENERGY CORPORATION (JP) 1992-06-17 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 (4 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-20160310494-A1 HETEROCYCLIC COMPOUND TP53, VHL, MGMT RORC 683/4885GPR119 3119/4885RIPK1 3797/4885
US-20020119992-A1 Thrombin inhibitors SERPINC1, F2, TFPI RORC 3467/4885GPR119 3446/4885RIPK1 2415/4885
US-20150210640-A1 1-(CYCLOALKYL-CARBONYL)PROLINE DERIVATIVE RB1, F2, SFPQ RORC 969/4885GPR119 2564/4885RIPK1 3193/4885
US-20170209452-A1 HETEROCYCLIC COMPOUND TP53, VHL, MGMT RORC 683/4885GPR119 3119/4885RIPK1 3797/4885

“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.