SCHEMBL14846571

SCHEMBL14846571

C[C@H](N)c1ccc(CN2CCC(N(C)C)CC2)cc1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 4/20 0.44
▸ PARP2 Q9UGN5 1/20 0.44
▸ HRH3 Q9Y5N1 4/20 0.44
▸ IDH1 O75874 1/20 0.44
▸ TNKS O95271 1/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ KDM4E B2RXH2 1/20 0.41
▸ LTA4H P09960 1/20 0.41
▸ DRD2 P14416 1/20 0.41
▸ DRD1 P21728 1/20 0.41
▸ DRD4 P21917 1/20 0.41
▸ HTR2A P28223 1/20 0.41
▸ DRD3 P35462 1/20 0.41
▸ SIGMAR1 Q99720 1/20 0.41

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
SCHEMBL19178207 1.00 PARP1 (0.44) PARP1PARP2HRH3IDH1TNKS
SCHEMBL14924037 0.88 ALDH1A1 (0.50) PARP1PARP2HRH3IDH1TNKS
SCHEMBL14847083 0.83 HRH3 (0.47) HRH3IDH1ALDH1A1LTA4H
SCHEMBL4260843 0.81 LMNA (0.57) PARP1PARP2HRH3TNKSALDH1A1
SCHEMBL24307297 0.81 HRH3 (0.45) HRH3ALDH1A1
SCHEMBL12074554 0.80 ALDH1A1 (0.56) PARP1HRH3TNKSALDH1A1
SCHEMBL14924041 0.79 LTA4H (0.52) HRH3ALDH1A1LTA4HHTR2A
SCHEMBL14847024 0.79 HRH3 (0.67) HRH3ALDH1A1KDM4E
SCHEMBL1935806 0.79 HRH3 (0.67) HRH3ALDH1A1KDM4E
SCHEMBL4591986 0.78 KDM4E (0.57) PARP1HRH3TNKSALDH1A1KDM4E

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
EP-2771337-B1 3-(PYRIMIDIN-4-YL)-OXAZOLIDIN-2-ONES AS INHIBITORS OF MUTANT IDH NOVARTIS AG (CH) 2017-08-02 — — EP disclosed
EP-2771337-B1 3-(PYRIMIDIN-4-YL)-OXAZOLIDIN-2-ONES AS INHIBITORS OF MUTANT IDH NOVARTIS AG (CH) 2017-08-02 — — EP disclosed
US-8957068-B2 3-pyrimidin-4-yl-oxazolidin-2-ones as inhibitors of mutant IDH NOVARTIS AG (CH) 2015-02-17 — — US disclosed
US-8957068-B2 3-pyrimidin-4-yl-oxazolidin-2-ones as inhibitors of mutant IDH NOVARTIS AG (CH) 2015-02-17 — — US disclosed
US-20140235620-A1 3-PYRIMIDIN-4-YL-OXAZOLIDIN-2-ONES AS INHIBITORS OF MUTANT IDH NOVARTIS AG (CH) 2014-08-21 — — US disclosed
US-20140235620-A1 3-PYRIMIDIN-4-YL-OXAZOLIDIN-2-ONES AS INHIBITORS OF MUTANT IDH NOVARTIS AG (CH) 2014-08-21 — — US disclosed
WO-2013046136-A1 3-PYRIMIDIN-4-YL-OXAZOLIDIN-2-ONES AS INHIBITORS OF MUTANT IDH NOVARTIS AG (CH) 2013-04-04 — — 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-20140235620-A1 3-PYRIMIDIN-4-YL-OXAZOLIDIN-2-ONES AS INHIBITORS OF MUTANT IDH IDH1, IDH3A, IDH3B PARP1 2345/4885PARP2 2773/4885HRH3 2006/4885

“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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