SCHEMBL15818956

SCHEMBL15818956

COc1cc2nc(CC(C)C)nc(O)c2cc1OC

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ NTSR1 P30989 1/20 0.52
▸ PDE10A Q9Y233 2/20 0.42
▸ PDE3B Q13370 2/20 0.41
▸ PDE3A Q14432 2/20 0.41
▸ HTT P42858 2/20 0.41
▸ PDE4A P27815 2/20 0.40
▸ PDE4D Q08499 2/20 0.40
▸ KDM4E B2RXH2 2/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ ELANE P08246 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ EHMT2 Q96KQ7 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37

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 0.83 NTSR1 (0.49) NTSR1PDE3BPDE3AHTTPDE4A
SCHEMBL15819113 0.82 NTSR1 (0.52) NTSR1PDE10APDE3BPDE3AHTT
SCHEMBL15819418 0.80 NTSR1 (0.51) NTSR1PDE10APDE3BPDE3AHTT
SCHEMBL15819572 0.79 HTT (0.41) NTSR1PDE3BPDE3AHTTPDE4A
SCHEMBL15821106 0.77 KDM1A (0.44) NTSR1PDE4APDE4DKDM4EELANE
SCHEMBL15818619 0.77 NTSR1 (0.55) NTSR1PDE3BPDE3APDE4APDE4D
SCHEMBL15818652 0.76 NTSR1 (0.49) NTSR1PDE3BPDE3AHTTPDE4A
SCHEMBL15819502 0.75 NTSR1 (0.59) NTSR1PDE3BPDE3AKDM4EALDH1A1
SCHEMBL2330774 0.75 PDE4A (0.47) PDE3BPDE3AHTTPDE4APDE4D
SCHEMBL30636666 0.75 PDE4A (0.47) PDE3BPDE3AHTTPDE4APDE4D

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 1/4885PDE10A 1103/4885PDE3B 1119/4885

“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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