SCHEMBL3154643

SCHEMBL3154643

COC1(OC)CCN(C(=O)OCc2ccccc2)C(c2ccc(F)cc2C)C1

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 10/20 0.42
TMEM97 Q5BJF2 9/20 0.42
PTGDR2 Q9Y5Y4 1/20 0.41
PKM P14618 1/20 0.41
NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL4853230 1.00 SIGMAR1 (0.42) SIGMAR1TMEM97PTGDR2PKMNPSR1
SCHEMBL2488624 0.80 PARP1 (0.46) SIGMAR1TMEM97PTGDR2PKM
SCHEMBL4859941 0.80 PARP1 (0.46) SIGMAR1TMEM97PTGDR2PKM
SCHEMBL14248396 0.77 HTR2C (0.50) NPSR1
SCHEMBL3158902 0.75 SIGMAR1 (0.48) SIGMAR1TMEM97
SCHEMBL3158897 0.75 SIGMAR1 (0.48) SIGMAR1TMEM97
SCHEMBL3161043 0.75 SIGMAR1 (0.48) SIGMAR1TMEM97
SCHEMBL3161029 0.75 SIGMAR1 (0.48) SIGMAR1TMEM97
SCHEMBL3158912 0.75 SIGMAR1 (0.48) SIGMAR1TMEM97
SCHEMBL3157643 0.75 TACR1 (0.47) SIGMAR1TMEM97

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1513814-B1 NOVEL PIPERIDINE COMPOUND MITSUBISHI TANABE PHARMA CORP (JP) 2010-03-17 EP disclosed
US-7619092-B2 Piperidine compounds MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-11-17 US disclosed
US-7619092-B2 Piperidine compounds MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-11-17 US disclosed
US-7619092-B2 Piperidine compounds MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-11-17 US disclosed
US-7390905-B2 Piperidine compound and process for preparing the same MITSUBISHI TANABE PHARMA CORPORATION (JP) 2008-06-24 US disclosed
US-20070112029-A1 Piperidine compound and process for preparing the same TANABE SEIYAKU CO., LTD. (JP) 2007-05-17 US disclosed
EP-1513814-A4 NOVEL PIPERIDINE COMPOUND TANABE SEIYAKU CO (JP) 2007-03-14 EP disclosed
EP-1693367-A1 PIPERIDINE COMPOUND AND METHOD FOR PRODUCING SAME TANABE SEIYAKU CO., LTD. (JP) 2006-08-23 EP disclosed
US-20050239829-A1 Novel piperidine compound TANABE SEIYAKU CO. LTD. (JP) 2005-10-27 US disclosed
EP-1513814-A1 NOVEL PIPERIDINE COMPOUND TANABE SEIYAKU CO., LTD. (JP) 2005-03-16 EP disclosed
WO-2003099787-A1 NOVEL PIPERIDINE COMPOUND TANABE SEIYAKU CO., LTD. (JP) 2003-12-04 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 (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-20050239829-A1 Novel piperidine compound EP300, BRD1, CBR3 SIGMAR1 14/4885TMEM97 654/4885PTGDR2 677/4885
US-20070112029-A1 Piperidine compound and process for preparing the same NPSR1, TACR1, PRLHR SIGMAR1 52/4885TMEM97 349/4885PTGDR2 193/4885

“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.