SCHEMBL8977442

SCHEMBL8977442

CCN1CCC[C@H]1C(=O)OC

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.47
FKBP1A P62942 2/20 0.47
POLB P06746 1/20 0.45
ALDH1A1 P00352 3/20 0.44
L3MBTL1 Q9Y468 2/20 0.42
ADRA1D P25100 1/20 0.41
ADRA1A P35348 1/20 0.41
ADRA1B P35368 1/20 0.41
DRD2 P14416 1/20 0.41
PEPD P12955 1/20 0.41
HSD11B1 P28845 2/20 0.40
ABCG2 Q9UNQ0 1/20 0.40
GAA P10253 1/20 0.40
KDM4E B2RXH2 1/20 0.39

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
SCHEMBL12677313 1.00 LTA4H (0.47) LTA4HFKBP1APOLBALDH1A1L3MBTL1
SCHEMBL3315632 1.00 LTA4H (0.47) LTA4HFKBP1APOLBALDH1A1L3MBTL1
SCHEMBL24960955 0.95 FKBP1A (0.52) LTA4HFKBP1APOLBALDH1A1KDM4E
SCHEMBL15114560 0.95 FKBP1A (0.52) LTA4HFKBP1APOLBALDH1A1KDM4E
SCHEMBL24960953 0.95 FKBP1A (0.52) LTA4HFKBP1APOLBALDH1A1KDM4E
SCHEMBL2773153 0.89 FKBP1A (0.42) LTA4HFKBP1APOLBALDH1A1GAA
SCHEMBL9649182 0.86 FKBP1A (0.51) LTA4HFKBP1APOLBALDH1A1L3MBTL1
SCHEMBL18482504 0.86 FKBP1A (0.51) LTA4HFKBP1APOLBALDH1A1L3MBTL1
SCHEMBL10182480 0.86 FKBP1A (0.51) LTA4HFKBP1APOLBALDH1A1L3MBTL1
SCHEMBL4681706 0.85 LTA4H (0.47) LTA4HFKBP1APOLBALDH1A1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117185977-A Preparation method of amisulpride intermediate 江苏阿尔法药业股份有限公司 2023-12-08 CN disclosed
WO-2023180189-A1 MPRO TARGETING ANTIVIRAL COMPOUNDS EXSCIENTIA AI LIMITED (GB) 2023-09-28 WO disclosed
WO-2023006019-A1 POLYSUBSTITUTED BENZENE PD-L1 INHIBITOR, COMPOSITION AND USE THEREOF 杭州和正医药有限公司 2023-02-02 WO disclosed
WO-2017046606-A1 ANTIBACTERIAL COMPOUNDS REDX PHARMA PLC (GB) 2017-03-23 WO disclosed
WO-2015161309-A1 APIGENIN ANALOGS, COMPOSITIONS, AND METHODS RELATED THERETO ZHOU JIA (US) 2015-10-22 WO disclosed
US-8188089-B2 Tylophorine analogs as antitumor agents THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2012-05-29 US disclosed
US-8119654-B2 Indenoisoquinolinone analogs and methods of use thereof INOTEK PHARMACEUTICALS CORPORATION (US) 2012-02-21 US disclosed
US-8119654-B2 Indenoisoquinolinone analogs and methods of use thereof INOTEK PHARMACEUTICALS CORPORATION (US) 2012-02-21 US disclosed
US-20100234364-A1 CCR2 INHIBITORS AND METHODS OF USE THEREOF CHEMOCENTRYX, INC. 2010-09-16 US disclosed
US-20100179140-A1 INDENOISOQUINOLINONE ANALOGS AND METHODS OF USE THEREOF INOTEK PHARMACEUTICALS CORPORATION (US) 2010-07-15 US disclosed
US-20080300254-A1 Tylophorine Analogs as Antitumor Agents NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2008-12-04 US disclosed
WO-2008106619-A2 INDENOISOQUINOLINONE ANALOGS AND METHODS OF USE THEREOF INOTEK PHARMACEUTICALS CORPORATION (US) 2008-09-04 WO disclosed
US-20070203184-A1 Novel Indolin-2-one Derivatives, Their Preparation and the Pharmaceutical Compositions Comprising Them SANOFI-AVENTIS (FR) 2007-08-30 US disclosed
US-20070203184-A1 Novel Indolin-2-one Derivatives, Their Preparation and the Pharmaceutical Compositions Comprising Them SANOFI-AVENTIS (FR) 2007-08-30 US disclosed
US-20070197546-A1 QUINOLINE-4-CARBOXAMIDE AS NK-2 AND NK-3 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM SPA, ITALY 2007-08-23 US disclosed
US-20070197546-A1 QUINOLINE-4-CARBOXAMIDE AS NK-2 AND NK-3 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM SPA, ITALY 2007-08-23 US disclosed
WO-2007081540-A2 TYLOPHORINE ANALOGS AS ANTITUMOR AGENTS UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2007-07-19 WO disclosed
WO-2007025009-A2 INDENOISOQUINOLINONE ANALOGS AND METHODS OF USE THEREOF INOTEK PHARMACEUTICALS CORPORATION (US) 2007-03-01 WO disclosed
US-20070049555-A1 Indenoisoquinolinone analogs and methods of use thereof INOTEK PHARMACEUTICALS CORPORATION (US) 2007-03-01 US disclosed
US-20070049555-A1 Indenoisoquinolinone analogs and methods of use thereof INOTEK PHARMACEUTICALS CORPORATION (US) 2007-03-01 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 (6 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-20070203184-A1 Novel Indolin-2-one Derivatives, Their Preparation and the Pharmaceutical Compositions Comprising Them OXTR, AVPR2, AVPR1B LTA4H 3773/4885FKBP1A 580/4885POLB 4809/4885
US-20070049555-A1 Indenoisoquinolinone analogs and methods of use thereof TNNI3, IDH2, GLS LTA4H 2929/4885FKBP1A 921/4885POLB 1161/4885
US-20070197546-A1 QUINOLINE-4-CARBOXAMIDE AS NK-2 AND NK-3 RECEPTOR ANTAGONISTS KCNH2, KCNH3, KCNJ2 LTA4H 1464/4885FKBP1A 3926/4885POLB 4568/4885
US-20100234364-A1 CCR2 INHIBITORS AND METHODS OF USE THEREOF CCR2, CCR9, CCR1 LTA4H 441/4885FKBP1A 781/4885POLB 4104/4885
US-20080300254-A1 Tylophorine Analogs as Antitumor Agents RPL30, RPL18A, RPP30 LTA4H 674/4885FKBP1A 3122/4885POLB 3424/4885
US-20100179140-A1 INDENOISOQUINOLINONE ANALOGS AND METHODS OF USE THEREOF TNNI3, IDH2, GLS LTA4H 2929/4885FKBP1A 921/4885POLB 1161/4885

“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.