SCHEMBL17375533

SCHEMBL17375533

CCC(=O)NCCc1cccc(OCc2ccccc2)c1

nearest known ligand 0.71

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 5/20 0.65
MTNR1B P49286 4/20 0.65
CYP2D6 P10635 1/20 0.61
CYP4F2 P78329 1/20 0.57
CYP4A11 Q02928 1/20 0.57
BCHE P06276 3/20 0.56
HPGD P15428 1/20 0.55
RECQL P46063 1/20 0.55
MAOB P27338 1/20 0.53
NR4A2 P43354 1/20 0.52

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
SCHEMBL21734283 0.90 HPGD (0.59) MTNR1AMTNR1BCYP2D6CYP4F2CYP4A11
SCHEMBL10960772 0.88 HPGD (0.63) CYP2D6CYP4F2CYP4A11BCHEHPGD
SCHEMBL10106169 0.86 MTNR1A (0.68) MTNR1AMTNR1BRECQL
SCHEMBL2749630 0.86 CYP4F2 (0.63) CYP2D6CYP4F2CYP4A11BCHEHPGD
SCHEMBL5105244 0.84 BCHE (0.62) CYP2D6CYP4F2CYP4A11BCHEHPGD
SCHEMBL12964151 0.83 MTNR1A (0.84) MTNR1AMTNR1B
SCHEMBL18183457 0.82 MTNR1A (0.58) MTNR1AMTNR1B
SCHEMBL3426013 0.81 CYP4F2 (0.60) CYP2D6CYP4F2CYP4A11BCHEHPGD
SCHEMBL67569 0.81 CYP2D6 (0.58) CYP2D6CYP4F2CYP4A11BCHEHPGD
SCHEMBL31506266 0.81 CYP2D6 (0.58) CYP2D6CYP4F2CYP4A11BCHEHPGD

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
WO-2016169911-A1 NOVEL DIHYDROPYRIDOISOQUINOLINONES AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF INFLAMMATORY DISORDERS GALAPAGOS NV (BE) 2016-10-27 WO disclosed
WO-2016169911-A1 NOVEL DIHYDROPYRIDOISOQUINOLINONES AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF INFLAMMATORY DISORDERS GALAPAGOS NV (BE) 2016-10-27 WO disclosed
WO-2015197550-A1 NOVEL DIHYDROPYRIDOISOQUINOLINONES AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF INFLAMMATORY DISORDERS GALAPAGOS NV (BE) 2015-12-30 WO disclosed
WO-2015197550-A1 NOVEL DIHYDROPYRIDOISOQUINOLINONES AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF INFLAMMATORY DISORDERS GALAPAGOS NV (BE) 2015-12-30 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 (1 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 MTNR1A 238/4885MTNR1B 412/4885CYP2D6 1354/4885

“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.