SCHEMBL8298074

SCHEMBL8298074

COC1CCC(=O)N(C)C(C)CC1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
SRD5A1 P18405 5/20 0.33
KDM4E B2RXH2 2/20 0.32
CYP3A4 P08684 1/20 0.32
THRB P10828 1/20 0.32
TSHR P16473 1/20 0.32
THPO P40225 1/20 0.32
MEN1 O00255 1/20 0.32
MAPK1 P28482 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
CYP2D6 P10635 1/20 0.32

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
SCHEMBL8298088 0.87 SRD5A1 (0.33) KMT2ANPC1RAB9ASRD5A1KDM4E
SCHEMBL8298093 0.85 CYP2D6 (0.32) CYP2D6
SCHEMBL2302701 0.81
SCHEMBL13626381 0.81
SCHEMBL262126 0.81
SCHEMBL8298077 0.79 NPC1 (0.38) KMT2ANPC1RAB9ASRD5A1CYP2D6
SCHEMBL8299360 0.74 BRD4 (0.45) KMT2ANPC1RAB9ASRD5A1KDM4E
SCHEMBL27678364 0.74 CHRM2 (0.35) KMT2ASRD5A1KDM4ECYP3A4THRB
SCHEMBL1303658 0.73
SCHEMBL20200115 0.73

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8058292-B2 Therapeutic agents useful for treating pain PURDUE PHARMA L.P. (US) 2011-11-15 US disclosed
US-8058292-B2 Therapeutic agents useful for treating pain PURDUE PHARMA L.P. (US) 2011-11-15 US disclosed
US-20100256111-A1 THERAPEUTIC AGENTS USEFUL FOR TREATING PAIN PURDUE PHARMA L.P. (US) 2010-10-07 US disclosed
US-20100256111-A1 THERAPEUTIC AGENTS USEFUL FOR TREATING PAIN PURDUE PHARMA L.P. (US) 2010-10-07 US disclosed
US-7767699-B2 Therapeutic agents useful for treating pain PURDUE PHARMA, L.P. (US) 2010-08-03 US disclosed
US-7767699-B2 Therapeutic agents useful for treating pain PURDUE PHARMA, L.P. (US) 2010-08-03 US disclosed
WO-2005007641-A1 2-PYRIDINE ALKYNE DERIVATIVES USEFUL FOR TREATING PAIN EURO-CELTIQUE S.A. (LU) 2005-01-27 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-20100256111-A1 THERAPEUTIC AGENTS USEFUL FOR TREATING PAIN CHRNA10, ACHE, SNCA KMT2A 771/4885NPC1 1355/4885RAB9A 380/4885

“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.