SCHEMBL1439237

SCHEMBL1439237

COC(=O)C1CC(O)CN(Cc2ccccc2)C1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
S1PR5 Q9H228 5/20 0.52
S1PR1 P21453 3/20 0.52
FUCA1 P04066 2/20 0.48
ALDH1A1 P00352 2/20 0.47
LTA4H P09960 1/20 0.46
MAPT P10636 1/20 0.45
HPGD P15428 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
HSD17B10 Q99714 1/20 0.45
BCHE P06276 1/20 0.45
SCN4A P35499 2/20 0.44

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
SCHEMBL29067901 1.00 S1PR5 (0.52) S1PR5S1PR1FUCA1ALDH1A1LTA4H
SCHEMBL62842 0.92 S1PR5 (0.57) S1PR5S1PR1FUCA1ALDH1A1LTA4H
SCHEMBL51880 0.92 S1PR5 (0.57) S1PR5S1PR1FUCA1ALDH1A1LTA4H
SCHEMBL6616917 0.89 S1PR5 (0.60) S1PR5S1PR1FUCA1ALDH1A1LTA4H
SCHEMBL4023553 0.86 S1PR5 (0.52) S1PR5S1PR1FUCA1ALDH1A1LTA4H
SCHEMBL29067832 0.85 S1PR5 (0.51) S1PR5S1PR1ALDH1A1LTA4HMAPT
SCHEMBL1439927 0.85 S1PR5 (0.51) S1PR5S1PR1ALDH1A1LTA4HMAPT
SCHEMBL30500506 0.84 S1PR5 (0.72) S1PR5S1PR1FUCA1ALDH1A1
SCHEMBL1438433 0.84 S1PR5 (0.72) S1PR5S1PR1FUCA1ALDH1A1
SCHEMBL8321624 0.83 KDM4E (0.54) S1PR5S1PR1ALDH1A1LTA4HMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116669727-A Triazole-pyridinyl substituted azacyclohexylacetic acid compounds as LPA receptor antagonists 唯久生物有限公司 2023-08-29 CN disclosed
WO-2012101063-A1 N-ACYL PYRIDINE BIARYL COMPOUNDS AND THEIR USES NOVARTIS AG (CH) 2012-08-02 WO disclosed
WO-2012101064-A1 N-ACYL PYRIMIDINE BIARYL COMPOUNDS AS PROTEIN KINASE INHIBITORS NOVARTIS AG (CH) 2012-08-02 WO disclosed
EP-2473499-A1 BIPYRIDINES USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISEASES Novartis AG (CH) 2012-07-11 EP disclosed
EP-2473505-A1 PYRAZINYLPYRIDINES USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISEASES Novartis AG (CH) 2012-07-11 EP disclosed
EP-2473502-A1 HETEROARYL COMPOUNDS AS KINASE INHIBITORS Novartis AG (CH) 2012-07-11 EP disclosed
US-20120165306-A1 PYRAZINYLPYRIDINES USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISEASES NOVARTIS VACCINES AND DIAGNOSTICS, INC. 2012-06-28 US disclosed
US-20120157433-A1 Heteroaryl Compounds as Kinase Inhibitors PFISTER KEITH B (US) 2012-06-21 US disclosed
US-20110130380-A1 Heteroaryl Kinase Inhibitors NOVARTIS AG (CH) 2011-06-02 US disclosed
WO-2011026911-A1 BIPYRIDINES USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISEASES NOVARTIS AG (CH) 2011-03-10 WO disclosed
WO-2011026917-A1 HETEROARYL COMPOUNDS AS KINASE INHIBITORS NOVARTIS AG (CH) 2011-03-10 WO disclosed
WO-2011026904-A1 PYRAZINYLPYRIDINES USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISEASES NOVARTIS AG (CH) 2011-03-10 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-20120157433-A1 Heteroaryl Compounds as Kinase Inhibitors CDK2, CDK1, CDK6 S1PR5 2753/4885S1PR1 2605/4885FUCA1 2213/4885
US-20110130380-A1 Heteroaryl Kinase Inhibitors CDK2, CDK1, CDKL1 S1PR5 3175/4885S1PR1 3068/4885FUCA1 1992/4885
US-20120165306-A1 PYRAZINYLPYRIDINES USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISEASES CDK4, CDK1, CCNI S1PR5 1610/4885S1PR1 1575/4885FUCA1 2733/4885

“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.