SCHEMBL4859941

SCHEMBL4859941

Cc1cc(F)ccc1[C@H]1CC(=O)CCN1C(=O)OCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.46
PTGDR2 Q9Y5Y4 1/20 0.45
SIGMAR1 Q99720 7/20 0.44
TMEM97 Q5BJF2 6/20 0.44
PKM P14618 1/20 0.43

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
SCHEMBL2488624 1.00 PARP1 (0.46) PARP1PTGDR2SIGMAR1TMEM97PKM
SCHEMBL5745363 0.87 PARP1 (0.48) PARP1SIGMAR1TMEM97
SCHEMBL20703649 0.85 SIGMAR1 (0.50) PARP1PTGDR2SIGMAR1TMEM97PKM
SCHEMBL3066321 0.85 SIGMAR1 (0.50) PARP1PTGDR2SIGMAR1TMEM97PKM
SCHEMBL20449106 0.83 PARP1 (0.48) PARP1PTGDR2SIGMAR1TMEM97
SCHEMBL2706487 0.83 PARP1 (0.48) PARP1PTGDR2SIGMAR1TMEM97
SCHEMBL3068759 0.82 PARP1 (0.48) PARP1PTGDR2SIGMAR1TMEM97
SCHEMBL2484442 0.81 TACR1 (0.41)
SCHEMBL2484439 0.81 TACR1 (0.41)
SCHEMBL2486149 0.81 TACR1 (0.41)

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-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-1693367-A1 PIPERIDINE COMPOUND AND METHOD FOR PRODUCING SAME TANABE SEIYAKU CO., LTD. (JP) 2006-08-23 EP 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-20070112029-A1 Piperidine compound and process for preparing the same NPSR1, TACR1, PRLHR PARP1 3751/4885PTGDR2 193/4885SIGMAR1 52/4885

“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.