SCHEMBL18183459

SCHEMBL18183459

NCCc1cccc(OCC(F)F)c1

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 7/20 0.57
ACHE P22303 3/20 0.47
MAOB P27338 4/20 0.46
HCRTR1 O43613 1/20 0.46
HCRTR2 O43614 1/20 0.46
DRD2 P14416 1/20 0.44
DRD1 P21728 1/20 0.44
CYP4F2 P78329 1/20 0.41
CYP4A11 Q02928 1/20 0.41

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
SCHEMBL7989440 0.83 TAAR1 (0.62) TAAR1ACHEMAOBDRD2DRD1
SCHEMBL4242523 0.79 TAAR1 (0.61) TAAR1ACHEMAOBHCRTR1HCRTR2
SCHEMBL20201962 0.79 ALDH1A1 (0.49) HCRTR1HCRTR2
SCHEMBL4164639 0.79 HCRTR1 (0.42) MAOBHCRTR1HCRTR2CYP4F2CYP4A11
Hydrochloric Acid SCHEMBL2211546 0.78 TAAR1 (0.59) TAAR1ACHEMAOBHCRTR1HCRTR2
SCHEMBL146849 0.77 TAAR1 (0.68) TAAR1ACHEMAOBDRD2DRD1
SCHEMBL30820845 0.77 TAAR1 (0.68) TAAR1ACHEMAOBDRD2DRD1
SCHEMBL13542659 0.77 TAAR1 (0.62) TAAR1ACHEMAOBDRD2DRD1
SCHEMBL13460378 0.77 HCRTR1 (0.37) TAAR1HCRTR1HCRTR2CYP4F2CYP4A11
Hydrochloric Acid SCHEMBL21810796 0.76 TAAR1 (0.66) TAAR1ACHEMAOBDRD2DRD1

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 5 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
WO-2016169911-A1 NOVEL DIHYDROPYRIDOISOQUINOLINONES AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF INFLAMMATORY DISORDERS GALAPAGOS NV (BE) 2016-10-27 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 TAAR1 326/4885ACHE 1166/4885MAOB 3351/4885

“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.