SCHEMBL2491207

SCHEMBL2491207

OC[C@H]1CNC2(CC2)CN1Cc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRM6 O15303 1/20 0.40
GBA1 P04062 1/20 0.40
SIGMAR1 Q99720 2/20 0.39
SPHK2 Q9NRA0 2/20 0.38
SPHK1 Q9NYA1 2/20 0.38
CYP2C19 P33261 2/20 0.37
CYP11B2 P19099 1/20 0.37
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP2C9 P11712 1/20 0.36
TSHR P16473 1/20 0.36
KMT2A Q03164 1/20 0.36
HIF1A Q16665 1/20 0.36
CYP2D6 P10635 1/20 0.36

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
SCHEMBL22661900 0.86 GRM6 (0.37) GRM6SIGMAR1CYP2C19
SCHEMBL7918136 0.86 GRM6 (0.37) GRM6SIGMAR1CYP2C19
SCHEMBL22661873 0.86 GRM6 (0.37) GRM6SIGMAR1CYP2C19
SCHEMBL2489070 0.82 CYP2C19 (0.35) GRM6SIGMAR1CYP2C19
SCHEMBL1508882 0.79 MAPT (0.43) GRM6SIGMAR1
SCHEMBL1508976 0.79 MAPT (0.43) GRM6SIGMAR1
SCHEMBL2486957 0.79 MAPT (0.43) GRM6SIGMAR1
SCHEMBL2492327 0.76 TOP2A (0.33) GRM6SIGMAR1CYP2C19
SCHEMBL8224955 0.75 GRM6 (0.43) GRM6GBA1SIGMAR1SPHK2SPHK1
SCHEMBL14885473 0.75 GRM6 (0.43) GRM6GBA1SIGMAR1SPHK2SPHK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130172362-A1 Imidazothiazole Derivatives Having Proline Ring Structure DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-07-04 US disclosed
US-20130172362-A1 Imidazothiazole Derivatives Having Proline Ring Structure DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-07-04 US disclosed
US-20130172362-A1 Imidazothiazole Derivatives Having Proline Ring Structure DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-07-04 US disclosed
US-8404691-B2 Imidazothiazole derivatives having proline ring structure DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-03-26 US disclosed
US-8404691-B2 Imidazothiazole derivatives having proline ring structure DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-03-26 US disclosed
US-8404691-B2 Imidazothiazole derivatives having proline ring structure DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-03-26 US disclosed
EP-2380892-A1 IMIDAZOTHIAZOLE DERIVATIVE HAVING PROLINE RING STRUCTURE Daiichi Sankyo Company, Limited (JP) 2011-10-26 EP disclosed
WO-2010082612-A1 IMIDAZOTHIAZOLE DERIVATIVE HAVING PROLINE RING STRUCTURE 第一三共株式会社 (JP) 2010-07-22 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-20130172362-A1 Imidazothiazole Derivatives Having Proline Ring Structure MDM2, TP53, TP53BP1 GRM6 4083/4885GBA1 4642/4885SIGMAR1 4651/4885

“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.