SCHEMBL4294807

SCHEMBL4294807

COc1c(C=O)cccc1OCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNB2 O95067 1/20 0.55
CDK1 P06493 1/20 0.55
CDK4 P11802 1/20 0.55
CCNB1 P14635 1/20 0.55
CCND1 P24385 1/20 0.55
CCNB3 Q8WWL7 1/20 0.55
ERN1 O75460 3/20 0.53
MAPT P10636 1/20 0.51
MAPK1 P28482 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
HTR1A P08908 5/20 0.51
ADRA1D P25100 5/20 0.51
ADRA1A P35348 5/20 0.51
ADRA1B P35368 5/20 0.51
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
BCHE P06276 1/20 0.48
LIPE Q05469 1/20 0.47
KDM4E B2RXH2 1/20 0.47

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
SCHEMBL1050281 0.89 CCNB2 (0.59) CCNB2CDK1CDK4CCNB1CCND1
SCHEMBL28129638 0.88 KDM4E (0.60) CCNB2CDK1CDK4CCNB1CCND1
SCHEMBL1125006 0.88 KDM4E (0.60) CCNB2CDK1CDK4CCNB1CCND1
SCHEMBL7097452 0.88 ERN1 (0.50) CCNB2CDK1CDK4CCNB1CCND1
SCHEMBL411835 0.87 HTR1A (0.56) CCNB2CDK1CDK4CCNB1CCND1
SCHEMBL410058 0.84 MAPT (0.69) CCNB2CDK1CDK4CCNB1CCND1
SCHEMBL9597698 0.84 RAB9A (0.52) ERN1TDP1L3MBTL1CA1CA2
SCHEMBL16632680 0.84 KMT2A (0.54) CCNB2CDK1CDK4CCNB1CCND1
SCHEMBL17750764 0.84 NFE2L2 (0.51) CCNB2CDK1CDK4CCNB1CCND1
SCHEMBL17912878 0.84 MAPT (0.66) MAPTMAPK1TDP1L3MBTL1HTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6210816-B1 Translucent xerographic recording substrates XEROX CORPORATION 2001-04-03 US claimed
EP-3194367-B1 TETRAHYDROISOQUINOLINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR THE TREATMENT OF OBESITY AND DIABETES BOEHRINGER INGELHEIM INT (DE) 2021-08-18 EP disclosed
EP-3194367-B1 TETRAHYDROISOQUINOLINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR THE TREATMENT OF OBESITY AND DIABETES BOEHRINGER INGELHEIM INT (DE) 2021-08-18 EP disclosed
EP-3286191-B1 NOVEL DIHYDROPYRIDOISOQUINOLINONES AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF INFLAMMATORY DISORDERS GALAPAGOS NV (BE) 2020-07-29 EP disclosed
EP-3286191-B1 NOVEL DIHYDROPYRIDOISOQUINOLINONES AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF INFLAMMATORY DISORDERS GALAPAGOS NV (BE) 2020-07-29 EP disclosed
US-10568879-B2 Dihydropyridoisoquinolinones and pharmaceutical compositions thereof for the treatment of inflammatory disorders GALAPAGOS NV (BE) 2020-02-25 US disclosed
US-10568879-B2 Dihydropyridoisoquinolinones and pharmaceutical compositions thereof for the treatment of inflammatory disorders GALAPAGOS NV (BE) 2020-02-25 US disclosed
EP-3194367-A1 TETRAHYDROISOQUINOLINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR THE TREATMENT OF OBESITY AND DIABETES Boehringer Ingelheim International GmbH (DE) 2017-07-26 EP disclosed
WO-2016169911-A1 NOVEL DIHYDROPYRIDOISOQUINOLINONES AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF INFLAMMATORY DISORDERS GALAPAGOS NV (BE) 2016-10-27 WO disclosed
US-9340510-B2 Tetrahydroisoquinoline derivatives, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-05-17 US disclosed
WO-2016041845-A1 TETRAHYDROISOQUINOLINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR THE TREATMENT OF OBESITY AND DIABETES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-03-24 WO disclosed
US-20160075657-A1 Tetrahydroisoquinoline derivatives, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-03-17 US disclosed
US-20160075657-A1 Tetrahydroisoquinoline derivatives, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-03-17 US disclosed
US-7625887-B2 Receptor agonists TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-12-01 US disclosed
US-20090239839-A1 RECEPTOR ANTAGONIST TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-09-24 US disclosed
US-20070129348-A1 Receptor antagonist TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-06-07 US disclosed
US-20060199795-A1 Receptor agonists TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-09-07 US disclosed
EP-1623710-A1 RECEPTOR ANTAGONIST Takeda Pharmaceutical Company Limited (JP) 2006-02-08 EP disclosed
EP-1591120-A1 RECEPTOR AGONISTS Takeda Chemical Industries, Ltd. (JP) 2005-11-02 EP disclosed
US-6210816-B1 Translucent xerographic recording substrates XEROX CORPORATION 2001-04-03 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 (5 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-20160075657-A1 Tetrahydroisoquinoline derivatives, pharmaceutical compositions and uses thereof QDPR, RECQL, TPMT CCNB2 284/4885CDK1 393/4885CDK4 397/4885
US-10568879-B2 Dihydropyridoisoquinolinones and pharmaceutical compositions thereof for the treatment of inflammatory disorders GPR84, GPR88, GPR65 CCNB2 3086/4885CDK1 1631/4885CDK4 1232/4885
US-20090239839-A1 RECEPTOR ANTAGONIST FSHR, NR0B2, NR4A3 CCNB2 3085/4885CDK1 2686/4885CDK4 3055/4885
US-20070129348-A1 Receptor antagonist FSHR, NR0B2, NR4A3 CCNB2 3085/4885CDK1 2686/4885CDK4 3055/4885
US-20060199795-A1 Receptor agonists GPBAR1, GPR35, GPR55 CCNB2 4380/4885CDK1 3306/4885CDK4 3002/4885

“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.