SCHEMBL1983505

SCHEMBL1983505

CCC1CCN(c2cc[c]cc2)C1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 1/20 0.40
BPTF Q12830 1/20 0.39
DPP4 P27487 2/20 0.37
MAPT P10636 13/20 0.36
ALDH1A1 P00352 8/20 0.36
MAPK1 P28482 8/20 0.36
GAA P10253 4/20 0.36
LMNA P02545 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
ALOX12 P18054 1/20 0.36
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
TDP1 Q9NUW8 7/20 0.34
KDM4E B2RXH2 3/20 0.34
MCL1 Q07820 3/20 0.34
ALOX15 P16050 2/20 0.34
HPGD P15428 1/20 0.34
NOTUM Q6P988 1/20 0.34
ATM Q13315 3/20 0.34
HTT P42858 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
SCHEMBL4396441 0.84 DPP4 (0.51) BPTFDPP4MAPTALDH1A1L3MBTL1
SCHEMBL10213622 0.82 ADRB1 (0.43) USP30BPTFDPP4MAPTALDH1A1
SCHEMBL12045684 0.81 MAPT (0.50) USP30BPTFDPP4MAPTALDH1A1
SCHEMBL12993239 0.81 NOTUM (0.51) USP30BPTFMAPTALDH1A1MAPK1
SCHEMBL1033516 0.76 USP2 (0.43) DPP4ALDH1A1GAAL3MBTL1MEN1
SCHEMBL1033336 0.76 USP2 (0.43) DPP4ALDH1A1GAAL3MBTL1MEN1
SCHEMBL1030116 0.76 USP2 (0.43) DPP4ALDH1A1GAAL3MBTL1MEN1
SCHEMBL10177533 0.74 DPP4 (0.46) DPP4L3MBTL1MEN1KMT2ANOTUM
SCHEMBL13036989 0.74 DPP4 (0.46) DPP4L3MBTL1MEN1KMT2ANOTUM
SCHEMBL17297914 0.73 HRH3 (0.56)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2509600-B1 THERAPEUTICALLY ACTIVE COMPOUNDS FOR USE IN THE TREATMENT OF CANCER CHARACTERIZED AS HAVING AN IDH MUTATION AGIOS PHARMACEUTICALS INC (US) 2017-08-02 EP disclosed
US-20170166541-A1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHODS OF USE SERVIER PHARMACEUTICALS LLC 2017-06-15 US disclosed
US-20130035329-A1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHODS OF USE SERVIER PHARMACEUTICALS LLC 2013-02-07 US disclosed
EP-2509600-A1 THERAPEUTICALLY ACTIVE COMPOUNDS FOR USE IN THE TREATMENT OF CANCER CHARACTERIZED AS HAVING AN IDH MUTATION Agios Pharmaceuticals, Inc. (US) 2012-10-17 EP disclosed
WO-2011072174-A1 THERAPEUTICALLY ACTIVE COMPOUNDS FOR USE IN THE TREATMENT OF CANCER CHARACTERIZED AS HAVING AN IDH MUTATION AGIOS PHARMACEUTICALS, INC. (US) 2011-06-16 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 (2 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-20170166541-A1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHODS OF USE MCL1, TP53, CD44 USP30 3573/4885BPTF 3463/4885DPP4 2597/4885
US-20130035329-A1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHODS OF USE MCL1, TP53, CD44 USP30 3573/4885BPTF 3463/4885DPP4 2597/4885

“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.