SCHEMBL17384347

SCHEMBL17384347

COc1ccccc1NC1CCCC1O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 1/20 0.49
TAS1R1 Q7RTX1 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.48
ALOX15 P16050 1/20 0.47
TSHR P16473 1/20 0.47
NPSR1 Q6W5P4 2/20 0.46
LMNA P02545 1/20 0.46
MAPT P10636 2/20 0.43
HPGD P15428 1/20 0.43
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
NPC1 O15118 1/20 0.43
KMT2A Q03164 1/20 0.43
ATM Q13315 1/20 0.43
PKM P14618 1/20 0.42
MAPK1 P28482 1/20 0.42
PDCD1 Q15116 1/20 0.42
CD274 Q9NZQ7 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
ALDH1A1 P00352 1/20 0.42

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
SCHEMBL21400554 0.79 TAS1R3 (0.64) TAS1R3TAS1R1SMN1; SMN2ALOX15TSHR
SCHEMBL1646836 0.78 LMNA (0.55) SMN1; SMN2ALOX15TSHRNPSR1LMNA
SCHEMBL1645759 0.74 DRD2 (0.52) SMN1; SMN2ALOX15TSHRNPSR1LMNA
SCHEMBL19915073 0.73 NPSR1 (0.61) SMN1; SMN2ALOX15TSHRNPSR1LMNA
SCHEMBL12507354 0.73 ACHE (0.58) TSHRKDM4EMEN1KMT2AALDH1A1
SCHEMBL2192609 0.73 ACHE (0.58) TSHRKDM4EMEN1KMT2AALDH1A1
SCHEMBL2192612 0.73 ACHE (0.58) TSHRKDM4EMEN1KMT2AALDH1A1
SCHEMBL2192618 0.73 ACHE (0.58) TSHRKDM4EMEN1KMT2AALDH1A1
SCHEMBL26536496 0.73 MMP2 (0.54) SMN1; SMN2NPSR1L3MBTL1ALDH1A1
SCHEMBL6075157 0.72 KMT2A (0.58) TAS1R3TAS1R1SMN1; SMN2NPSR1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200354324-A1 SMALL MOLECULE AGONISTS OF NEUROTENSIN RECEPTOR 1 SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE 2020-11-12 US disclosed
US-20190023665-A1 SMALL MOLECULE AGONISTS OF NEUROTENSIN RECEPTOR 1 Sanford Burnham Prebys Medical Discovery Institute 2019-01-24 US disclosed
US-20170240514-A1 Small Molecule Agonists of Neurotensin Receptor 1 Sanford Burnham Prebys Medical Discovery Institute 2017-08-24 US disclosed
WO-2015200534-A2 SMALL MOLECULE AGONISTS OF NEUROTENSIN RECEPTOR 1 SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2015-12-30 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 (3 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-20170240514-A1 Small Molecule Agonists of Neurotensin Receptor 1 NTSR1, NTSR2, VIPR1 TAS1R3 295/4885TAS1R1 224/4885SMN1; SMN2 939/4885
US-20200354324-A1 SMALL MOLECULE AGONISTS OF NEUROTENSIN RECEPTOR 1 NTSR1, NTSR2, VIPR1 TAS1R3 295/4885TAS1R1 224/4885SMN1; SMN2 939/4885
US-20190023665-A1 SMALL MOLECULE AGONISTS OF NEUROTENSIN RECEPTOR 1 NTSR1, NTSR2, VIPR1 TAS1R3 295/4885TAS1R1 224/4885SMN1; SMN2 939/4885

“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.