SCHEMBL17375528

SCHEMBL17375528

CCC1=NCCc2cc(OCc3ccccc3)ccc21

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAOA P21397 4/20 0.56
MAOB P27338 4/20 0.56
HRH3 Q9Y5N1 8/20 0.52
KDM4E B2RXH2 2/20 0.48
GLA P06280 1/20 0.48
RCE1 Q9Y256 1/20 0.48
CYP2D6 P10635 3/20 0.46
HRH1 P35367 1/20 0.46
TOP1 P11387 1/20 0.46
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
ALOX5 P09917 1/20 0.45

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
SCHEMBL21734251 0.91 MAOA (0.53) MAOAMAOBHRH3KDM4EGLA
SCHEMBL10963250 0.89 MAOB (0.56) MAOAMAOBHRH3KDM4EGLA
SCHEMBL9693016 0.82 SLC2A1 (0.57) MAOAMAOBHRH3KDM4EGLA
SCHEMBL9692361 0.82 SLC2A1 (0.57) MAOAMAOBHRH3KDM4EGLA
SCHEMBL10967087 0.81 KDM4E (0.74) MAOAMAOBKDM4EGLARCE1
SCHEMBL9690674 0.80 LCK (0.53) MAOAMAOBHRH3CYP2D6HRH1
SCHEMBL9692105 0.80 LCK (0.53) MAOAMAOBHRH3CYP2D6HRH1
SCHEMBL17381541 0.80 KDM4E (0.70) MAOAKDM4EGLARCE1CYP2D6
SCHEMBL10455397 0.79 SLC2A1 (0.69) MAOAMAOBHRH3CYP2D6HRH1
SCHEMBL9693074 0.79 SLC2A1 (0.69) MAOAMAOBHRH3CYP2D6HRH1

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 9 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
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 MAOA 2301/4885MAOB 3351/4885HRH3 229/4885

“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.