SCHEMBL2399119

SCHEMBL2399119

COc1ccc(C(=O)N2CCC3(CC2)CC(C(=O)NCc2ccc(C)o2)=NO3)cc1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.44
KMT2A Q03164 1/20 0.42
CYP2D6 P10635 5/20 0.41
HPGD P15428 3/20 0.41
MAPK1 P28482 1/20 0.41
CYP3A4 P08684 7/20 0.40
TSHR P16473 3/20 0.40
CYP2C9 P11712 2/20 0.40
USP2 O75604 4/20 0.40
CYP1A2 P05177 3/20 0.40
HIF1A Q16665 1/20 0.40
GRM3 Q14832 1/20 0.40
ALDH1A1 P00352 2/20 0.39
HSD17B10 Q99714 1/20 0.39
SMN1; SMN2 Q16637 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
SCHEMBL2400827 0.89 KMT2A (0.40) POLBKMT2AHPGDCYP3A4TSHR
SCHEMBL1457656 0.88 CYP1A2 (0.48) KMT2ACYP2D6HPGDMAPK1CYP3A4
SCHEMBL6410560 0.86 POLB (0.42) POLBCYP2D6HPGDMAPK1CYP3A4
SCHEMBL2399342 0.85 CYP2D6 (0.52) POLBKMT2ACYP2D6MAPK1CYP3A4
SCHEMBL5116462 0.82 GPR119 (0.52) KMT2ACYP3A4ALDH1A1SMN1; SMN2
SCHEMBL2402307 0.79 POLB (0.56) POLBKMT2ACYP2D6HPGDMAPK1
SCHEMBL1457289 0.77 ALDH1A1 (0.39) POLBHPGDMAPK1TSHRALDH1A1
SCHEMBL1457327 0.77 HPGD (0.47) POLBKMT2AHPGDTSHRALDH1A1
SCHEMBL5112784 0.77 MAPT (0.39) POLBKMT2AHPGDCYP3A4TSHR
SCHEMBL6415660 0.77 SMN1; SMN2 (0.36) POLBKMT2AHPGDCYP3A4TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8048890-B2 Analgesics; neuropathic pain; headaches; muscle relaxants; incontence; tinnitus; diarrhea; antiarrhythmia agents; antiischemic agents; antiinflammatory agents; antiulcer agents; antidepressants; antiepileptic agents GRUENENTHAL GMBH (DE) 2011-11-01 US claimed
US-8048890-B2 Analgesics; neuropathic pain; headaches; muscle relaxants; incontence; tinnitus; diarrhea; antiarrhythmia agents; antiischemic agents; antiinflammatory agents; antiulcer agents; antidepressants; antiepileptic agents GRUENENTHAL GMBH (DE) 2011-11-01 US disclosed
US-20110224172-A1 Substituted 1-Oxa-2,8-Diaza-Spiro [4,5] Dec-2-Ene Derivatives and Related Treatment Methods GRUENENTHAL GMBH (DE) 2011-09-15 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-20110224172-A1 Substituted 1-Oxa-2,8-Diaza-Spiro [4,5] Dec-2-Ene Derivatives and Related Treatment Methods SULT1E1, DECR1, CYP8B1 POLB 1636/4885KMT2A 3636/4885CYP2D6 27/4885

“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.