SCHEMBL1609526

SCHEMBL1609526

O=C(NC1CC1)[C@H]1CCN(OC(=O)C(F)(F)F)C1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 6/20 0.39
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
ALDH1A1 P00352 4/20 0.37
MAPK1 P28482 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
KDM4E B2RXH2 1/20 0.35
NPSR1 Q6W5P4 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
SCHEMBL2146182 0.94 EPHX2 (0.45) EPHX2KMT2AALDH1A1MAPK1L3MBTL1
SCHEMBL2018904 0.93 ALDH1A1 (0.43) EPHX2MEN1KMT2AALDH1A1L3MBTL1
SCHEMBL610387 0.88 ALDH1A1 (0.50) EPHX2KMT2AALDH1A1MAPK1L3MBTL1
SCHEMBL1437590 0.85 EPHX2 (0.49) EPHX2ALDH1A1MAPK1L3MBTL1LMNA
SCHEMBL26599493 0.83 NOTUM (0.41) ALDH1A1
SCHEMBL1609203 0.82 PIK3CD (0.39)
SCHEMBL23779158 0.78 GAA (0.37) ALDH1A1MAPK1LMNAGAATDP1
SCHEMBL1437900 0.76 SMO (0.37) EPHX2ALDH1A1MAPK1L3MBTL1LMNA
SCHEMBL28060419 0.75 MAPK1 (0.44) EPHX2MEN1KMT2AALDH1A1MAPK1
SCHEMBL12713904 0.75 MAPK1 (0.48) EPHX2MEN1KMT2AALDH1A1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110086853-A1 Therapeutic Compounds BROWN WILLIAM 2011-04-14 US disclosed
US-7615642-B2 Therapeutic compounds ASTRAZENECA AB (SE) 2009-11-10 US disclosed
US-20070244092-A1 N-Cyclopropyl-1-{[2-(1,1-difluoroethyl)-1-(tetrahydro-2H-pyran-4-ylmethyl)-1H-benzimidazol-5-yl]sulfonyl}-1H-pyrrole-3-carboxamide; for pain management ASTRAZENECA AB (SE) 2007-10-18 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-20110086853-A1 Therapeutic Compounds OPRL1, F12, F3 EPHX2 2664/4885MEN1 1668/4885KMT2A 3546/4885
US-20070244092-A1 N-Cyclopropyl-1-{[2-(1,1-difluoroethyl)-1-(tetrahydro-2H-pyran-4-ylmethyl)-1H-benzimidazol-5-yl]sulfonyl}-1H-pyrrole-3-carboxamide; for pain management OPRM1, OPRL1, OPRK1 EPHX2 3284/4885MEN1 3468/4885KMT2A 2100/4885

“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.