SCHEMBL18019707

SCHEMBL18019707

CC(N)C1CCN(C)C(=O)C1

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.35
BRD4 O60885 7/20 0.34
BRD2 P25440 1/20 0.34
PIK3CD O00329 1/20 0.34
ROCK2 O75116 3/20 0.32
ROCK1 Q13464 3/20 0.32
TACR1 P25103 1/20 0.32
OPRM1 P35372 1/20 0.30
OPRK1 P41145 1/20 0.30
OPRL1 P41146 1/20 0.30

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
SCHEMBL23425847 0.84 MAPK1 (0.38) MAPK1BRD4BRD2PIK3CDTACR1
SCHEMBL11989033 0.84 MAPK1 (0.38) MAPK1BRD4BRD2PIK3CDTACR1
SCHEMBL23102801 0.84 MAPK1 (0.38) MAPK1BRD4BRD2PIK3CDTACR1
SCHEMBL23132331 0.81 PIK3CD (0.38) MAPK1BRD4BRD2PIK3CDTACR1
SCHEMBL26326345 0.81 PIK3CD (0.38) MAPK1BRD4BRD2PIK3CDTACR1
SCHEMBL23133625 0.81 MAPK1 (0.35) MAPK1BRD4BRD2PIK3CDTACR1
SCHEMBL23109027 0.81 MAPK1 (0.35) MAPK1BRD4BRD2PIK3CDTACR1
SCHEMBL26122493 0.79 LMNA (0.35) MAPK1BRD4BRD2
SCHEMBL24852411 0.78 BRD4 (0.38) MAPK1BRD4BRD2PIK3CDTACR1
SCHEMBL17981943 0.75 BRD4 (0.34) BRD4TACR1

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
US-20180037568-A1 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF CONSTELLATION PHARMACEUTICALS, INC. 2018-02-08 US disclosed
US-20180037568-A1 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF CONSTELLATION PHARMACEUTICALS, INC. 2018-02-08 US disclosed
US-20180037568-A1 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF CONSTELLATION PHARMACEUTICALS, INC. 2018-02-08 US disclosed
WO-2016130396-A1 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF CONSTELLATION PHARMACEUTICALS, INC. (US) 2016-08-18 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-20180037568-A1 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF TPMT, TET1, DNMT1 MAPK1 3060/4885BRD4 1032/4885BRD2 699/4885

“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.