SCHEMBL1820002

SCHEMBL1820002

CCC1=NCCc2cc(OC)c(OC)cc21

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.72
CYP3A4 P08684 1/20 0.72
CYP2D6 P10635 1/20 0.72
CYP2C19 P33261 1/20 0.72
HSD17B10 Q99714 1/20 0.72
KDM4E B2RXH2 4/20 0.65
GLA P06280 1/20 0.65
RCE1 Q9Y256 1/20 0.65
MAOA P21397 4/20 0.65
ALDH1A1 P00352 3/20 0.65
MAPT P10636 2/20 0.65
GAA P10253 1/20 0.65
RAD52 P43351 2/20 0.58
LMNA P02545 2/20 0.57
PKM P14618 1/20 0.51
MAPK10 P53779 2/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA7 P43166 1/20 0.50
CA9 Q16790 1/20 0.50

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
SCHEMBL29868545 1.00 CYP1A2 (0.72) CYP1A2CYP3A4CYP2D6CYP2C19HSD17B10
SCHEMBL4103388 0.89 CYP1A2 (0.76) CYP1A2CYP3A4CYP2D6CYP2C19HSD17B10
SCHEMBL23112133 0.87 CYP1A2 (0.61) CYP1A2CYP3A4CYP2D6CYP2C19HSD17B10
SCHEMBL18932187 0.87 MAOA (0.68) CYP1A2CYP3A4CYP2D6CYP2C19HSD17B10
SCHEMBL10737635 0.87 CYP1A2 (0.68) CYP1A2CYP3A4CYP2D6CYP2C19HSD17B10
Hydrochloric Acid SCHEMBL3452579 0.85 CYP1A2 (0.67) CYP1A2CYP3A4CYP2D6CYP2C19HSD17B10
SCHEMBL17381541 0.84 KDM4E (0.70) CYP1A2CYP3A4CYP2D6CYP2C19HSD17B10
SCHEMBL10707749 0.84 CYP1A2 (0.74) CYP1A2CYP3A4CYP2D6CYP2C19HSD17B10
SCHEMBL4103661 0.84 HSD17B10 (0.68) CYP1A2CYP3A4CYP2D6CYP2C19HSD17B10
SCHEMBL4109030 0.84 HSD17B10 (0.68) CYP1A2CYP3A4CYP2D6CYP2C19HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230133132-A1 NAMPT MODULATORS CYTOKINETICS, INC. 2023-05-04 US disclosed
CN-107531703-B Dihydropyridoisoquinolinones and pharmaceutical compositions thereof for the treatment of inflammatory diseases 加拉帕戈斯股份有限公司 2020-09-01 CN 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
US-10155259-B2 FSH receptor antagonists MERCK SHARP & DOHME B.V. (NL) 2018-12-18 US disclosed
EP-3286191-A1 NOVEL DIHYDROPYRIDOISOQUINOLINONES AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF INFLAMMATORY DISORDERS Galapagos NV (BE) 2018-02-28 EP disclosed
CN-107531703-A For treating the new dihydro pyrido isobioquin group and its pharmaceutical composition of diseases associated with inflammation 加拉帕戈斯股份有限公司 2018-01-02 CN disclosed
EP-2763986-B1 FSH RECEPTOR ANTAGONISTS MERCK SHARP & DOHME (NL) 2017-06-07 EP disclosed
US-9127007-B2 FSH receptor antagonists MERCK SHARP & DOHME B.V. (NL) 2015-09-08 US disclosed
US-20140350043-A1 FSH RECEPTOR ANTAGONISTS MERCK SHARP & DOHME B.V. (NL) 2014-11-27 US disclosed
US-20140350043-A1 FSH RECEPTOR ANTAGONISTS MERCK SHARP & DOHME B.V. (NL) 2014-11-27 US disclosed
US-20140350043-A1 FSH RECEPTOR ANTAGONISTS MERCK SHARP & DOHME B.V. (NL) 2014-11-27 US disclosed
EP-2763986-A1 FSH RECEPTOR ANTAGONISTS Merck Sharp & Dohme B.V. (NL) 2014-08-13 EP disclosed
WO-2013041458-A1 FSH RECEPTOR ANTAGONISTS MSD OSS B.V. (NL) 2013-03-28 WO disclosed
WO-2013041458-A1 FSH RECEPTOR ANTAGONISTS MSD OSS B.V. (NL) 2013-03-28 WO disclosed
US-20120258957-A1 HETEROCYCLIC DERIVATIVES MSD OSS B.V. (NL) 2012-10-11 US disclosed
EP-2504316-A1 HETEROCYLIC COMPOUNDS AS ANTAGONISTS OF THE OREXIN RECEPTORS MSD Oss B.V. (NL) 2012-10-03 EP disclosed
WO-2011061318-A1 HETEROCYLIC COMPOUNDS AS ANTAGONISTS OF THE OREXIN RECEPTORS N.V. ORGANON (NL) 2011-05-26 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 (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-10568879-B2 Dihydropyridoisoquinolinones and pharmaceutical compositions thereof for the treatment of inflammatory disorders GPR84, GPR88, GPR65 CYP1A2 777/4885CYP3A4 1428/4885CYP2D6 1354/4885
US-20140350043-A1 FSH RECEPTOR ANTAGONISTS FSHR, GNRHR, LHCGR CYP1A2 2703/4885CYP3A4 3553/4885CYP2D6 2410/4885
US-20230133132-A1 NAMPT MODULATORS NAMPT, MC4R, SIRT1 CYP1A2 2420/4885CYP3A4 2794/4885CYP2D6 2623/4885
US-20120258957-A1 HETEROCYCLIC DERIVATIVES HCRTR2, HCRTR1, NPY5R CYP1A2 230/4885CYP3A4 326/4885CYP2D6 234/4885
US-10155259-B2 FSH receptor antagonists FSHR, GNRHR, LHCGR CYP1A2 3152/4885CYP3A4 4001/4885CYP2D6 2785/4885

“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.