SCHEMBL3514820

SCHEMBL3514820

COc1ccccc1OCCCNC(=O)OC(C)(C)C

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.61
MTNR1B P49286 1/20 0.61
DRD2 P14416 5/20 0.59
CA12 O43570 2/20 0.53
CA1 P00915 2/20 0.53
CA2 P00918 2/20 0.53
CA9 Q16790 2/20 0.53
NPC1 O15118 1/20 0.52
HSP90AA1 P07900 1/20 0.52
HSD17B10 Q99714 1/20 0.51
KMT2A Q03164 1/20 0.51
HPGD P15428 1/20 0.51
LMNA P02545 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
SCN9A Q15858 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49

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
SCHEMBL2830568 0.96 MTNR1A (0.67) MTNR1AMTNR1BDRD2CA12CA1
SCHEMBL30773715 0.87 DRD2 (0.52) MTNR1AMTNR1BDRD2CA12CA1
SCHEMBL7336799 0.86 CA12 (0.56) DRD2CA12CA1CA2CA9
SCHEMBL1978348 0.86 DRD2 (0.51) MTNR1AMTNR1BDRD2CA12CA1
SCHEMBL22642707 0.86 DRD2 (0.51) MTNR1AMTNR1BDRD2CA12CA1
SCHEMBL7778567 0.85 KDM4E (0.55) CA12CA1CA2CA9
SCHEMBL24191753 0.85 CA12 (0.55) DRD2CA12CA1CA2CA9
SCHEMBL27380365 0.85 DRD2 (0.50) MTNR1AMTNR1BDRD2CA12CA1
SCHEMBL28868419 0.84 SCN9A (0.53) MTNR1AMTNR1BDRD2CA12CA1
SCHEMBL593088 0.84 ALDH1A1 (0.51) MTNR1ADRD2CA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100305113-A1 Substituted Imidazopyridazines as Lipid Kinase Inhibitors CAPRARO HANS-GEORG 2010-12-02 US disclosed
EP-2155753-A1 SUBSTITUTED IMIDAZOPYRIDAZINES AS PI3K LIPID KINASE INHIBITORS Novartis Ag (CH) 2010-02-24 EP disclosed
WO-2008138834-A1 SUBSTITUTED IMIDAZOPYRIDAZINES AS PI3K LIPID KINASE INHIBITORS NOVARTIS AG (CH) 2008-11-20 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-20100305113-A1 Substituted Imidazopyridazines as Lipid Kinase Inhibitors PI4KA, PIK3CA, PIK3CB MTNR1A 3994/4885MTNR1B 3646/4885DRD2 4386/4885

“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.