SCHEMBL12626113

SCHEMBL12626113

COc1ccc(CN2CCC3(CC2)OCCN3C(=O)c2ccc(OC)cc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.64
▸ HTT P42858 1/20 0.64
▸ TSHR P16473 5/20 0.56
▸ CYP2D6 P10635 3/20 0.56
▸ CYP3A4 P08684 4/20 0.54
▸ CYP2C9 P11712 2/20 0.54
▸ SMN1; SMN2 Q16637 2/20 0.54
▸ CYP1A2 P05177 2/20 0.54
▸ USP2 O75604 1/20 0.54
▸ HIF1A Q16665 1/20 0.51
▸ EPAS1 Q99814 1/20 0.51
▸ KCNH2 Q12809 3/20 0.50
▸ LSS P48449 1/20 0.50
▸ POLB P06746 1/20 0.49
▸ ALDH1A1 P00352 1/20 0.48
▸ HPGD P15428 1/20 0.48
▸ MMP1 P03956 1/20 0.47
▸ MMP9 P14780 1/20 0.47
▸ MMP13 P45452 1/20 0.47
▸ ADAM17 P78536 1/20 0.47

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 0.84 KDM4E (0.70) KDM4EHTTTSHRCYP2D6CYP3A4
SCHEMBL12626097 0.84 KDM4E (0.61) KDM4EHTTTSHRCYP2D6CYP3A4
SCHEMBL20791879 0.80 KDM4E (0.64) KDM4EHTTTSHRCYP2D6CYP3A4
SCHEMBL12655508 0.79 HTT (0.62) KDM4EHTTTSHRSMN1; SMN2USP2
SCHEMBL12626207 0.75 L3MBTL1 (0.61) SMN1; SMN2POLBALDH1A1MMP1MMP9
SCHEMBL12621891 0.73 HTT (0.47) KDM4EHTTCYP2D6CYP3A4CYP2C9
SCHEMBL25495300 0.73 HTT (0.56) KDM4EHTTTSHRSMN1; SMN2USP2
SCHEMBL13353200 0.72 POLB (0.68) KDM4EHTTTSHRCYP2D6CYP3A4
SCHEMBL12622121 0.71 HTT (0.53) KDM4EHTTSMN1; SMN2POLBALDH1A1
SCHEMBL12626106 0.71 SMN1; SMN2 (0.57) KDM4ETSHRCYP2D6CYP3A4CYP2C9

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 3666/4885TSHR 4274/4885
US-20110105547-A1 FILAMIN A-BINDING ANTI-INFLAMMATORY ANALGESIC FLNA, FLNB, OPRK1 KDM4E 2446/4885HTT 3666/4885TSHR 4274/4885

“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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