SCHEMBL12626097

SCHEMBL12626097

COc1ccc(C(=O)N2CCC3(CC2)OCCN3C(=O)c2ccc(CO)cc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.61
▸ HTT P42858 1/20 0.61
▸ POLB P06746 1/20 0.59
▸ SMN1; SMN2 Q16637 4/20 0.52
▸ HPGD P15428 3/20 0.52
▸ TSHR P16473 4/20 0.49
▸ CYP2D6 P10635 3/20 0.49
▸ MAPK1 P28482 2/20 0.48
▸ USP2 O75604 3/20 0.48
▸ CYP2C9 P11712 3/20 0.48
▸ CYP1A2 P05177 2/20 0.48
▸ CYP3A4 P08684 3/20 0.47
▸ HIF1A Q16665 2/20 0.47
▸ DRD2 P14416 1/20 0.47
▸ GRM3 Q14832 1/20 0.47
▸ ALDH1A1 P00352 4/20 0.47
▸ MEN1 O00255 1/20 0.46
▸ KMT2A Q03164 1/20 0.46

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
SCHEMBL12655740 0.92 KDM4E (0.70) KDM4EHTTPOLBSMN1; SMN2HPGD
SCHEMBL12621891 0.91 HTT (0.47) KDM4EHTTPOLBSMN1; SMN2HPGD
SCHEMBL12626113 0.84 KDM4E (0.64) KDM4EHTTPOLBSMN1; SMN2HPGD
SCHEMBL12626093 0.84 L3MBTL1 (0.54) HTTPOLBSMN1; SMN2HPGDUSP2
SCHEMBL13353200 0.80 POLB (0.68) KDM4EHTTPOLBSMN1; SMN2HPGD
SCHEMBL12622121 0.80 HTT (0.53) KDM4EHTTPOLBSMN1; SMN2HPGD
SCHEMBL20791879 0.78 KDM4E (0.64) KDM4EHTTPOLBSMN1; SMN2HPGD
SCHEMBL12655508 0.77 HTT (0.62) KDM4EHTTPOLBSMN1; SMN2TSHR
SCHEMBL12622016 0.76 MAPK1 (0.46) KDM4EHTTPOLBSMN1; SMN2MAPK1
SCHEMBL12655726 0.75 L3MBTL1 (0.60) KDM4EHTTPOLBSMN1; SMN2HPGD

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-8580809-B2 Filamin A-binding anti-inflammatory analgesic PAIN THERAPEUTICS, INC. (US) 2013-11-12 — — US disclosed
US-8580808-B2 Filamin A-binding anti-inflammatory analgesic Pain Therapeutic, Inc. (US) 2013-11-12 — — US disclosed
US-20110105484-A1 FILAMIN A-BINDING ANTI-INFLAMMATORY ANALGESIC PAIN THERAPEUTICS 2011-05-05 — — US disclosed
US-20110105547-A1 FILAMIN A-BINDING ANTI-INFLAMMATORY ANALGESIC PAIN THERAPEUTICS 2011-05-05 — — 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-20110105484-A1 FILAMIN A-BINDING ANTI-INFLAMMATORY ANALGESIC FLNA, FLNB, OPRK1 KDM4E 2446/4885HTT 3666/4885POLB 2825/4885
US-20110105547-A1 FILAMIN A-BINDING ANTI-INFLAMMATORY ANALGESIC FLNA, FLNB, OPRK1 KDM4E 2446/4885HTT 3666/4885POLB 2825/4885

“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.

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