SCHEMBL3939129

SCHEMBL3939129

NC(=O)C1CCN(S(=O)(=O)Cc2ccccc2)CC1

nearest known ligand 0.69

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.69
ALDH1A1 P00352 2/20 0.69
MAPT P10636 2/20 0.69
HPGD P15428 2/20 0.69
HSD17B10 Q99714 1/20 0.69
LMNA P02545 1/20 0.69
PKM P14618 1/20 0.66
TSHR P16473 1/20 0.58
HTT P42858 1/20 0.57

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
Hydrochloric Acid SCHEMBL5015202 0.99 NPSR1 (0.67) NPSR1ALDH1A1MAPTHPGDHSD17B10
SCHEMBL27857138 0.88 NPSR1 (0.72) NPSR1ALDH1A1MAPTHPGDHSD17B10
SCHEMBL5360911 0.86 LMNA (0.59) NPSR1ALDH1A1MAPTHPGDHSD17B10
SCHEMBL4428781 0.85 LMNA (0.58) NPSR1ALDH1A1MAPTHPGDHSD17B10
SCHEMBL27812799 0.85 ALDH1A1 (0.55) NPSR1ALDH1A1MAPTHPGDHSD17B10
SCHEMBL28949192 0.84 HPGD (0.68) NPSR1ALDH1A1MAPTHPGDHSD17B10
SCHEMBL16509336 0.84 MAPT (0.58) NPSR1ALDH1A1MAPTHPGDHSD17B10
SCHEMBL14050551 0.82 LMNA (0.55) NPSR1ALDH1A1MAPTHPGDHSD17B10
SCHEMBL7239112 0.81 HPGD (0.65) NPSR1ALDH1A1MAPTHPGDHSD17B10
SCHEMBL4428794 0.80 LMNA (0.53) NPSR1ALDH1A1MAPTHPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020119590-A1 3-CYANOPYRIDINE COMPOUND, PHARMACEUTICAL COMPOSITION COMPRISING SAME, PREPARATION METHOD THEREFOR, AND USES THEREOF. 中国科学院上海药物研究所 2020-06-18 WO disclosed
EP-2044050-A1 NEW PYRIDINE ANALOGUES Astra Zeneca AB (SE) 2009-04-08 EP disclosed
WO-2009011627-A1 PYRIDINE COMPOUNDS AND THEIR USE AS P2Y12 ANTAGONISTS ASTRAZENECA AB (SE) 2009-01-22 WO disclosed
US-20080312208-A1 Pyridine Analogues ASTRAZENECA AB (SE) 2008-12-18 US disclosed
EP-1904474-A1 NEW PYRIDINE ANALOGUES AstraZeneca AB (SE) 2008-04-02 EP disclosed
WO-2008004946-A1 NEW PYRIDINE ANALOGUES ASTRAZENECA AB (SE) 2008-01-10 WO disclosed
WO-2007008140-A1 NEW PYRIDINE ANALOGUES ASTRAZENECA AB (SE) 2007-01-18 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-20080312208-A1 Pyridine Analogues P2RY12, P2RY11, P2RY1 NPSR1 1075/4885ALDH1A1 1274/4885MAPT 4276/4885

“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.