SCHEMBL9980847

SCHEMBL9980847

Cc1ccc(C(=O)C2CCN(C(=O)OC(C)(C)C)CC2)cn1

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.58
SLC18A3 Q16572 2/20 0.55
PTPN2 P17706 1/20 0.53
PTPN1 P18031 1/20 0.53
PTPN6 P29350 1/20 0.53
ABL1 P00519 1/20 0.52
RIN1 Q13671 1/20 0.52
GPR119 Q8TDV5 9/20 0.51
STS P08842 4/20 0.50
HPGD P15428 1/20 0.50

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
SCHEMBL16662147 0.88 LMNA (0.47) KMT2ASLC18A3PTPN2PTPN1PTPN6
SCHEMBL29480691 0.87 KMT2A (0.51) KMT2APTPN2PTPN1PTPN6ABL1
SCHEMBL21795781 0.87 KMT2A (0.51) KMT2APTPN2PTPN1PTPN6ABL1
SCHEMBL9980757 0.86 GPR119 (0.62) KMT2ASLC18A3PTPN2PTPN1PTPN6
SCHEMBL16632062 0.85 STS (0.51) KMT2APTPN2PTPN1PTPN6ABL1
SCHEMBL14113587 0.83 KMT2A (0.71) KMT2APTPN2PTPN1PTPN6ABL1
SCHEMBL408202 0.83 GPR119 (0.63) KMT2ASLC18A3PTPN2PTPN1PTPN6
SCHEMBL21605851 0.81 GPR119 (0.55) KMT2APTPN2PTPN1PTPN6GPR119
SCHEMBL13391294 0.80 GPR119 (0.59) KMT2ASLC18A3PTPN2PTPN1PTPN6
SCHEMBL24833605 0.80 MGLL (0.56) KMT2ASLC18A3PTPN2PTPN1PTPN6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8658131-B2 Compounds comprising 4-benzoylpiperidine as a sigma-1-selective ligand WASHINGTON UNIVERSITY (US) 2014-02-25 US disclosed
US-20110311447-A1 Compounds comprising 4-benzoylpiperidine as a Sigma-1-selective ligand WASHINGTON UNIVERSITY (US) 2011-12-22 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-20110311447-A1 Compounds comprising 4-benzoylpiperidine as a Sigma-1-selective ligand SIGMAR1, TMEM97, OPRM1 KMT2A 3940/4885SLC18A3 248/4885PTPN2 4002/4885

“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.