SCHEMBL2027615

SCHEMBL2027615

Oc1ccc(OC[C@@H](O)CN2CCC(O)(c3ccccc3)CC2)cc1

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 9/20 0.61
L3MBTL1 Q9Y468 1/20 0.59
KDM4E B2RXH2 1/20 0.58
TSHR P16473 2/20 0.56
CYP2D6 P10635 2/20 0.56
HIF1A Q16665 1/20 0.56
RAB9A P51151 1/20 0.56
HSD17B10 Q99714 1/20 0.56
KMT2A Q03164 2/20 0.54
GAA P10253 1/20 0.54
ATM Q13315 1/20 0.53
PKM P14618 1/20 0.53
KCNH2 Q12809 1/20 0.53
CYP2C19 P33261 1/20 0.52
MEN1 O00255 1/20 0.52

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
SCHEMBL2027614 1.00 ABCB1 (0.61) ABCB1L3MBTL1KDM4ETSHRCYP2D6
SCHEMBL13898292 0.92 L3MBTL1 (0.69) ABCB1L3MBTL1KDM4ETSHRCYP2D6
SCHEMBL4692502 0.91 TSHR (0.70) ABCB1L3MBTL1KDM4ETSHRCYP2D6
SCHEMBL16808047 0.89 ABCB1 (0.63) ABCB1L3MBTL1KDM4ETSHRCYP2D6
SCHEMBL16808048 0.89 ABCB1 (0.63) ABCB1L3MBTL1KDM4ETSHRCYP2D6
SCHEMBL16808052 0.89 TSHR (0.67) ABCB1L3MBTL1KDM4ETSHRCYP2D6
SCHEMBL13898527 0.88 L3MBTL1 (0.63) ABCB1L3MBTL1KDM4ETSHRCYP2D6
SCHEMBL16783945 0.86 CYP2D6 (0.62) ABCB1L3MBTL1KDM4ECYP2D6KMT2A
SCHEMBL16783943 0.86 CYP2D6 (0.62) ABCB1L3MBTL1KDM4ECYP2D6KMT2A
SCHEMBL16784006 0.86 CYP2D6 (0.62) ABCB1L3MBTL1KDM4ECYP2D6KMT2A

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
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
US-8420680-B2 NMDA receptor antagonists for neuroprotection EMORY UNIVERSITY (US) 2013-04-16 US disclosed
US-20110160223-A1 NMDA Receptor Antagonists for the Treatment of Neuropsychiatric Disorders EMORY UNIVERSITY 2011-06-30 US disclosed
US-20090253710-A1 NMDA Receptor Antagonists for Neuroprotection EMORY UNIVERSITY 2009-10-08 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 (3 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-20090253710-A1 NMDA Receptor Antagonists for Neuroprotection GRIN1, GRIN2C, GRIK1 ABCB1 2227/4885L3MBTL1 1035/4885KDM4E 2576/4885
US-20110160223-A1 NMDA Receptor Antagonists for the Treatment of Neuropsychiatric Disorders GRIN2A, GRIN2B, GRIN1 ABCB1 2367/4885L3MBTL1 4278/4885KDM4E 2156/4885
US-20140031363-A1 NMDA Receptor Antagonists for Neuroprotection GRIN1, GRIN2C, GRIK1 ABCB1 2170/4885L3MBTL1 1021/4885KDM4E 2527/4885

“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.