SCHEMBL18172599

SCHEMBL18172599

CC(C)(C)OC(=O)N(Cc1nc(CO)co1)C(=O)OC(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 1/20 0.35
CACNA1G O43497 1/20 0.32
CACNA1B Q00975 1/20 0.32
CACNA1C Q13936 1/20 0.32
SSTR4 P31391 1/20 0.32
HDAC1 Q13547 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31

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
SCHEMBL18172732 0.80 GRM2 (0.35) GRM2CACNA1GCACNA1BCACNA1C
SCHEMBL12407048 0.78 CACNA1G (0.37) GRM2CACNA1GCACNA1BCACNA1C
SCHEMBL3798888 0.75 KDM4A (0.40) GRM2CACNA1BCACNA1C
SCHEMBL26086914 0.74 GRM2 (0.39) GRM2SSTR4HDAC1HDAC8HDAC6
SCHEMBL2552257 0.74 HDAC1 (0.30) HDAC1HDAC8HDAC6
SCHEMBL28350803 0.74 SSTR4 (0.39) GRM2SSTR4HDAC1
SCHEMBL2552259 0.73 HTT (0.50)
SCHEMBL2713539 0.70 CACNA1G (0.45) CACNA1GCACNA1BCACNA1CSSTR4
SCHEMBL1732261 0.69 LCK (0.37)
SCHEMBL16057149 0.69 CACNA1G (0.41) CACNA1GCACNA1BCACNA1C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3286172-B1 LSD1 INHIBITORS AND USES THEREOF CONSTELLATION PHARMACEUTICALS INC (US) 2019-06-12 EP disclosed
US-20180290976-A1 LSD1 INHIBITORS AND USES THEREOF CONSTELLATION PHARMACEUTICALS, INC. 2018-10-11 US disclosed
EP-3286172-A1 LSD1 INHIBITORS AND USES THEREOF Constellation Pharmaceuticals, Inc. (US) 2018-02-28 EP disclosed
WO-2016172496-A1 LSD1 INHIBITORS AND USES THEREOF CONSTELLATION PHARMACEUTICALS, INC. (US) 2016-10-27 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-20180290976-A1 LSD1 INHIBITORS AND USES THEREOF KDM1B, KDM1A, KDM2A GRM2 832/4885CACNA1G 2303/4885CACNA1B 2244/4885

“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.