SCHEMBL6345936

SCHEMBL6345936

CCOC(=O)C[C@@H]1C[C@@H](C)NC1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.41
HTT P42858 2/20 0.41
CYP1A2 P05177 1/20 0.40
POLB P06746 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ALDH1A1 P00352 4/20 0.38
TSHR P16473 1/20 0.38
HSD17B10 Q99714 1/20 0.38
KMT2A Q03164 2/20 0.37
ABL1 P00519 1/20 0.37
RIN1 Q13671 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
GAA P10253 3/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2C19 P33261 2/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
HSD17B1 P14061 1/20 0.35
MGAM O43451 1/20 0.35
SI P14410 1/20 0.35

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
SCHEMBL7313554 0.80 ALDH1A1 (0.39) MAPTHTTCYP1A2POLBSMN1; SMN2
SCHEMBL7313550 0.80 ALDH1A1 (0.39) MAPTHTTCYP1A2POLBSMN1; SMN2
SCHEMBL6345797 0.79 PLA2G10 (0.36) TDP1GAA
SCHEMBL31693587 0.79 CYP1A2 (0.37) MAPTHTTCYP1A2POLBSMN1; SMN2
SCHEMBL6344558 0.78 ITGB3 (0.42) MAPTHTTALDH1A1TSHRTDP1
SCHEMBL7634160 0.75 ALDH1A1 (0.35) MAPTHTTCYP1A2POLBSMN1; SMN2
SCHEMBL7634164 0.75 ALDH1A1 (0.35) MAPTHTTCYP1A2POLBSMN1; SMN2
Hydrochloric Acid SCHEMBL28352217 0.74 POLB (0.52) MAPTHTTPOLBSMN1; SMN2ALDH1A1
SCHEMBL12616420 0.73
SCHEMBL932446 0.72 POLB (0.53) MAPTHTTPOLBSMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2334684-B1 PYRAZOLOPYRIMIDINES AND THEIR USE FOR THE TREATMENT OF CNS DISORDERS BOEHRINGER INGELHEIM INT (DE) 2017-08-02 EP disclosed
US-9079905-B2 Compounds for the treatment of CNS disorders BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-07-14 US disclosed
US-9079905-B2 Compounds for the treatment of CNS disorders BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-07-14 US disclosed
US-20120115863-A1 COMPOUNDS FOR THE TREATMENT OF CNS DISORDERS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-05-10 US disclosed
US-20120115863-A1 COMPOUNDS FOR THE TREATMENT OF CNS DISORDERS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-05-10 US disclosed
WO-2010026214-A1 PYRAZOLOPYRIMIDINES AND THEIR USE FOR THE TREATMENT OF CNS DISORDERS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-03-11 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-20120115863-A1 COMPOUNDS FOR THE TREATMENT OF CNS DISORDERS CNR1, CNR2, CHRM5 MAPT 307/4885HTT 905/4885CYP1A2 342/4885

“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.