SCHEMBL12424441

SCHEMBL12424441

CCC1CCN(C(=O)CC(F)(F)F)CC1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.43
DPP8 Q6V1X1 1/20 0.42
DPP7 Q9UHL4 1/20 0.42
GNAI3 P08754 2/20 0.41
GNAO1 P09471 2/20 0.41
GNAI1 P63096 2/20 0.41
AOC2 O75106 2/20 0.40
P2RY12 Q9H244 1/20 0.39
ALDH1A1 P00352 2/20 0.38
ITGB3 P05106 2/20 0.38
ITGA2B P08514 2/20 0.38
NPC1 O15118 2/20 0.38
FAAH O00519 1/20 0.38
HSD11B1 P28845 1/20 0.37

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
SCHEMBL13451999 0.84 FAAH (0.47) EPHX2DPP8DPP7GNAI3GNAO1
SCHEMBL22874747 0.83 NPC1 (0.53) EPHX2GNAI3GNAO1GNAI1ALDH1A1
SCHEMBL16095148 0.82 EPHX2 (0.43) EPHX2GNAI3GNAO1GNAI1AOC2
SCHEMBL12385899 0.81 ALDH1A1 (0.58) EPHX2ALDH1A1NPC1
SCHEMBL19249296 0.81 EPHX2 (0.42) EPHX2DPP8DPP7P2RY12ALDH1A1
SCHEMBL16478759 0.79 JAK1 (0.40) EPHX2DPP8DPP7GNAI3GNAO1
SCHEMBL4487574 0.79 EPHX2 (0.51) EPHX2GNAI3GNAO1GNAI1ALDH1A1
SCHEMBL12384790 0.79 CYP2D6 (0.46) EPHX2AOC2P2RY12ALDH1A1NPC1
SCHEMBL13629808 0.79 EPHX2 (0.43) EPHX2P2RY12ALDH1A1NPC1
SCHEMBL12424494 0.78 KMT2A (0.43) EPHX2DPP8DPP7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9745305-B2 Modulators of methyl modifying enzymes, compositions and uses thereof CONSTELLATION PHARMACEUTICALS, INC. (US) 2017-08-29 US claimed
EP-2970305-B1 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF CONSTELLATION PHARMACEUTICALS INC (US) 2017-02-22 EP claimed
US-20160009718-A1 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF CONSTELLATION PHARMACEUTICALS, INC. 2016-01-14 US claimed
US-9745305-B2 Modulators of methyl modifying enzymes, compositions and uses thereof CONSTELLATION PHARMACEUTICALS, INC. (US) 2017-08-29 US disclosed
EP-2970305-B1 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF CONSTELLATION PHARMACEUTICALS INC (US) 2017-02-22 EP disclosed
EP-2970305-A1 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF Constellation Pharmaceuticals, Inc. (US) 2016-01-20 EP disclosed
US-20160009718-A1 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF CONSTELLATION PHARMACEUTICALS, INC. 2016-01-14 US disclosed
WO-2014151142-A1 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF CONSTELLATION PHARMACEUTICALS, INC. (US) 2014-09-25 WO disclosed
US-20110201593-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2011-08-18 US 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-20160009718-A1 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF TET1, TET3, EHMT2 EPHX2 574/4885DPP8 1366/4885DPP7 1367/4885
US-20110201593-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF CCNY, CCNA1, CCNA2 EPHX2 669/4885DPP8 4561/4885DPP7 4678/4885

“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.