SCHEMBL15445682

SCHEMBL15445682

Cc1ccc(OC[C@@H](O)CNCCc2ccc(Cl)cc2)cc1

nearest known ligand 0.71

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.71
MEN1 O00255 4/20 0.71
KCNH2 Q12809 1/20 0.70
MAPT P10636 1/20 0.69
MAPK1 P28482 1/20 0.69
SMN1; SMN2 Q16637 1/20 0.69
ADRB3 P13945 11/20 0.67
ADRB1 P08588 8/20 0.67
ADRB2 P07550 7/20 0.67
TAAR1 Q96RJ0 1/20 0.62
NPC1 O15118 1/20 0.58

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
SCHEMBL18651970 0.87 ADRB3 (0.79) ADRB3ADRB1ADRB2
SCHEMBL12576743 0.86 KCNH2 (0.72) KMT2AKCNH2ADRB3ADRB1ADRB2
SCHEMBL15451481 0.82 ADRB3 (0.66) KMT2AMEN1KCNH2MAPTMAPK1
SCHEMBL15275450 0.79 ADRB3 (0.76) KMT2AMEN1MAPTMAPK1SMN1; SMN2
SCHEMBL11376334 0.78 KMT2A (0.56) KMT2AMEN1KCNH2MAPTMAPK1
SCHEMBL9683368 0.77 ADRB3 (0.74) KMT2AMEN1MAPTMAPK1SMN1; SMN2
SCHEMBL9683373 0.77 ADRB3 (0.74) KMT2AMEN1MAPTMAPK1SMN1; SMN2
SCHEMBL7116296 0.77 ADRB3 (0.79) KMT2AMEN1ADRB3ADRB1ADRB2
SCHEMBL27478454 0.76 ADRB1 (0.78) KMT2AMEN1ADRB3ADRB1ADRB2
SCHEMBL4009687 0.76 KMT2A (0.60) KMT2AMEN1KCNH2MAPTMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9079852-B2 NMDA receptor antagonists for neuroprotection EMORY UNIVERSITY (US) 2015-07-14 US disclosed
US-20140031363-A1 NMDA Receptor Antagonists for Neuroprotection LIOTTA DENNIS C (US) 2014-01-30 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 (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-20140031363-A1 NMDA Receptor Antagonists for Neuroprotection GRIN1, GRIN2C, GRIK1 KMT2A 701/4885MEN1 3627/4885KCNH2 135/4885

“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.