SCHEMBL15819418

SCHEMBL15819418

CCCc1nc(O)c2cc(OC)c(OC)cc2n1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ NTSR1 P30989 3/20 0.51
▸ HMGCR P04035 1/20 0.44
▸ ELANE P08246 1/20 0.43
▸ PGK1 P00558 2/20 0.42
▸ PDE4A P27815 2/20 0.41
▸ PDE4D Q08499 2/20 0.41
▸ PDE3B Q13370 2/20 0.41
▸ PDE3A Q14432 2/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ GAA P10253 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ HTT P42858 2/20 0.40
▸ HDAC6 Q9UBN7 1/20 0.39
▸ PDE10A Q9Y233 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
SCHEMBL15819106 0.87 NTSR1 (0.49) NTSR1ELANEPGK1PDE4APDE4D
SCHEMBL15819572 0.86 HTT (0.41) NTSR1ELANEPDE4APDE4DPDE3B
SCHEMBL15821106 0.84 KDM1A (0.44) NTSR1ELANEPDE4APDE4DKDM4E
SCHEMBL8857662 0.81 NTSR1 (0.51) NTSR1ELANEPGK1PDE3BPDE3A
SCHEMBL15818956 0.80 NTSR1 (0.52) NTSR1ELANEPDE4APDE4DPDE3B
SCHEMBL15818619 0.78 NTSR1 (0.55) NTSR1PDE4APDE4DPDE3BPDE3A
SCHEMBL15819502 0.77 NTSR1 (0.59) NTSR1ELANEPDE3BPDE3AKDM4E
SCHEMBL2330774 0.76 PDE4A (0.47) ELANEPGK1PDE4APDE4DPDE3B
SCHEMBL30636666 0.76 PDE4A (0.47) ELANEPGK1PDE4APDE4DPDE3B
SCHEMBL372023 0.75 PDE4A (0.62) ELANEPDE4APDE4DPDE3BPDE3A

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 1/4885HMGCR 4304/4885ELANE 2088/4885

“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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