SCHEMBL15818619

SCHEMBL15818619

COc1cc2nc(CC3CC3)nc(O)c2cc1OC

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ NTSR1 P30989 1/20 0.55
▸ PDE4A P27815 10/20 0.45
▸ PDE4D Q08499 10/20 0.45
▸ PDE3B Q13370 6/20 0.43
▸ PDE3A Q14432 6/20 0.43
▸ PDE2A O00408 1/20 0.42
▸ THRB P10828 1/20 0.41
▸ ADRA2A P08913 1/20 0.39
▸ ADRA2B P18089 1/20 0.39
▸ ADRA2C P18825 1/20 0.39
▸ ADRA1D P25100 1/20 0.39
▸ ADRA1A P35348 1/20 0.39
▸ ADRA1B P35368 1/20 0.39

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
SCHEMBL15819581 0.83 NTSR1 (0.55) NTSR1PDE4APDE4DPDE3BPDE3A
SCHEMBL15819106 0.80 NTSR1 (0.49) NTSR1PDE4APDE4DPDE3BPDE3A
SCHEMBL15819418 0.78 NTSR1 (0.51) NTSR1PDE4APDE4DPDE3BPDE3A
SCHEMBL15819572 0.77 HTT (0.41) NTSR1PDE4APDE4DPDE3BPDE3A
SCHEMBL15818956 0.77 NTSR1 (0.52) NTSR1PDE4APDE4DPDE3BPDE3A
SCHEMBL30473109 0.75 NTSR1 (0.52) NTSR1PDE4APDE4DPDE3BPDE3A
SCHEMBL7819957 0.75 NTSR1 (0.52) NTSR1PDE4APDE4DPDE3BPDE3A
SCHEMBL15821106 0.74 KDM1A (0.44) NTSR1PDE4APDE4D
SCHEMBL15819502 0.73 NTSR1 (0.59) NTSR1PDE3BPDE3A
SCHEMBL30636666 0.73 PDE4A (0.47) PDE4APDE4DPDE3BPDE3A

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-2938608-B1 SMALL MOLECULE AGONISTS OF NEUROTENSIN RECEPTOR 1 SANFORD BURNHAM MED RES INST (US) 2021-08-04 — — EP disclosed
US-9868707-B2 Small molecule agonists of neurotensin receptor 1 SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2018-01-16 — — US disclosed
US-20150329497-A1 SMALL MOLECULE AGONISTS OF NEUROTENSIN RECEPTOR 1 DUKE UNIVERSITY (US) 2015-11-19 — — US disclosed
EP-2938608-A1 SMALL MOLECULE AGONISTS OF NEUROTENSIN RECEPTOR 1 Sanford-Burnham Medical Research Institute (US) 2015-11-04 — — EP disclosed
WO-2014100501-A1 SMALL MOLECULE AGONISTS OF NEUROTENSIN RECEPTOR 1 SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2014-06-26 — — 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 (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-20150329497-A1 SMALL MOLECULE AGONISTS OF NEUROTENSIN RECEPTOR 1 NTSR1, NTSR2, VIPR1 NTSR1 1/4885PDE4A 703/4885PDE4D 699/4885

“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.

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