SCHEMBL1836271

SCHEMBL1836271

N[C@H](CO)CCC1(c2ccc(Cl)cc2)CC1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 8/20 0.44
SLC6A3 Q01959 7/20 0.44
SLC6A2 P23975 2/20 0.37
TP53 P04637 1/20 0.37
CYP3A4 P08684 1/20 0.37
ALOX15 P16050 1/20 0.37
TSHR P16473 1/20 0.37
CNR1 P21554 1/20 0.35
DRD2 P14416 1/20 0.34
ALDH1A1 P00352 1/20 0.33
OPRM1 P35372 1/20 0.33
OPRL1 P41146 1/20 0.33
MAOA P21397 2/20 0.33
MAOB P27338 2/20 0.33
KDM1A O60341 1/20 0.33

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
SCHEMBL1839985 1.00 SLC6A4 (0.44) SLC6A4SLC6A3SLC6A2TP53CYP3A4
SCHEMBL10726449 0.77 SLC6A4 (0.48) SLC6A4SLC6A3SLC6A2CNR1DRD2
SCHEMBL10178092 0.76 SLC6A4 (0.45) SLC6A4SLC6A3SLC6A2TP53CYP3A4
SCHEMBL6923557 0.76 NPC1 (0.42) TP53CYP3A4ALOX15TSHRALDH1A1
SCHEMBL3615305 0.73 SLC6A4 (0.52) SLC6A4SLC6A3SLC6A2CNR1DRD2
SCHEMBL12647919 0.72 ALDH1A1 (0.44) TSHRALDH1A1
SCHEMBL15042453 0.70 SLC6A4 (0.54) SLC6A4SLC6A3SLC6A2TP53CYP3A4
SCHEMBL2379038 0.70 SLC6A4 (0.50) SLC6A4SLC6A3SLC6A2TP53CYP3A4
SCHEMBL27870664 0.70 SLC6A4 (0.48) SLC6A4SLC6A3SLC6A2TP53CYP3A4
SCHEMBL15043692 0.70 SLC6A4 (0.49) SLC6A4SLC6A3SLC6A2TP53CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2321287-B1 4,5-DIHYDRO-OXAZOL-2-YL DERIVATIVES HOFFMANN LA ROCHE (CH) 2015-11-11 EP disclosed
US-8729113-B2 4,5-dihydro-oxazol-2yl derivatives HOFFMANN-LA ROCHE INC. (US) 2014-05-20 US disclosed
US-8357712-B2 2013-01-22 US disclosed
US-8242153-B2 4,5-dihydro-oxazol-2YL derivatives HOFFMANN-LA ROCHE INC. (US) 2012-08-14 US disclosed
US-20120165294-A1 4,5-DIHYDRO-OXAZOL-2YL DERIVATIVES GALLEY GUIDO (DE) 2012-06-28 US disclosed
US-20110144333-A1 4,5-DIHYDRO-OXAZOL-2YL DERIVATIVES GALLEY GUIDO 2011-06-16 US disclosed
EP-2321287-A1 4,5-DIHYDRO-OXAZOL-2-YL DERIVATIVES F. Hoffmann-La Roche AG (CH) 2011-05-18 EP disclosed
US-20100041686-A1 4,5-DIHYDRO-OXAZOL-2YL DERIVATIVES HOFFMANN-LA ROCHE, INC. 2010-02-18 US disclosed
US-20100029589-A1 4,5-DIHYDRO-OXAZOL-2YL DERIVATIVES HOFFMANN-LA ROCHE INC. 2010-02-04 US disclosed
WO-2010010014-A1 4,5-DIHYDRO-OXAZOL-2-YL DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2010-01-28 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 (4 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-20110144333-A1 4,5-DIHYDRO-OXAZOL-2YL DERIVATIVES NPY5R, NPY1R, NPY4R SLC6A4 65/4885SLC6A3 105/4885SLC6A2 136/4885
US-20100029589-A1 4,5-DIHYDRO-OXAZOL-2YL DERIVATIVES NPY5R, NPY1R, NPY4R SLC6A4 65/4885SLC6A3 105/4885SLC6A2 136/4885
US-20100041686-A1 4,5-DIHYDRO-OXAZOL-2YL DERIVATIVES NPY5R, NPY1R, NPY4R SLC6A4 65/4885SLC6A3 105/4885SLC6A2 136/4885
US-20120165294-A1 4,5-DIHYDRO-OXAZOL-2YL DERIVATIVES NPY5R, NPY1R, NPY4R SLC6A4 65/4885SLC6A3 105/4885SLC6A2 136/4885

“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.