SCHEMBL14827612

SCHEMBL14827612

CCOC(=O)/C=C/c1ccc2c(cnn2C2CCCCO2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RXRA P19793 1/20 0.52
▸ RXRB P28702 1/20 0.52
▸ RXRG P48443 1/20 0.52
▸ TTR P02766 1/20 0.43
▸ DPP4 P27487 1/20 0.43
▸ P2RY12 Q9H244 1/20 0.43
▸ MGLL Q99685 1/20 0.42
▸ CCNC P24863 1/20 0.42
▸ CDK8 P49336 1/20 0.42
▸ CA12 O43570 1/20 0.40
▸ CA1 P00915 1/20 0.40
▸ CA2 P00918 1/20 0.40
▸ CA7 P43166 1/20 0.40
▸ CA9 Q16790 1/20 0.40
▸ CA14 Q9ULX7 1/20 0.40
▸ MAOB P27338 1/20 0.40
▸ NPC1 O15118 2/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ ACHE P22303 2/20 0.40
▸ CYP3A4 P08684 1/20 0.39

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
SCHEMBL20153695 0.85 RXRA (0.40) RXRARXRBRXRGTTRDPP4
SCHEMBL770766 0.85 ESR1 (0.55) RXRARXRBRXRGMGLL
SCHEMBL5019877 0.85 ESR1 (0.47) RXRARXRBRXRGMGLLCA12
SCHEMBL14816270 0.85 RXRA (0.59) RXRARXRBRXRGTTRDPP4
SCHEMBL14816269 0.85 RXRA (0.59) RXRARXRBRXRGTTRDPP4
SCHEMBL15236144 0.85 ESR1 (0.47) RXRARXRBRXRGMGLLCCNC
SCHEMBL30646348 0.83 RXRA (0.41) RXRARXRBRXRGTTRDPP4
SCHEMBL770771 0.83 ESR1 (0.47) RXRARXRBRXRGMGLLCA12
SCHEMBL771229 0.83 RXRA (0.41) RXRARXRBRXRGTTRDPP4
SCHEMBL30646350 0.83 ESR1 (0.47) RXRARXRBRXRGMGLLCA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2760856-B1 SELECTIVE NR2B ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2016-09-14 — — EP disclosed
US-8722670-B2 Selective NR2B antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2014-05-13 — — US disclosed
US-8722670-B2 Selective NR2B antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2014-05-13 — — US disclosed
US-20130085138-A1 Selective NR2B Antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2013-04-04 — — US disclosed
US-20130085138-A1 Selective NR2B Antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2013-04-04 — — US disclosed
WO-2013049119-A1 SELECTIVE NR2B ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2013-04-04 — — 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-20130085138-A1 Selective NR2B Antagonists GRIN2B, GRIN2A, GRIN3A RXRA 1503/4885RXRB 1119/4885RXRG 1000/4885

“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.

Send feedback