SCHEMBL4860433

SCHEMBL4860433

CNC(C)(C)c1cc(F)cc(F)c1

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 1/20 0.33
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA9 Q16790 1/20 0.32
RAPGEF4 Q8WZA2 1/20 0.30

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
SCHEMBL13452405 0.78 SLC6A3 (0.32) SLC6A3CA12CA1CA9
SCHEMBL4251643 0.75 MAPT (0.44) RAPGEF4
SCHEMBL10087241 0.75 RAB9A (0.42)
Hydrochloric Acid SCHEMBL27258925 0.73 SMN1; SMN2 (0.41)
SCHEMBL179354 0.73 GABRA1 (0.46) SLC6A3CA12CA1CA9
SCHEMBL16105792 0.73 ALOX15 (0.40) SLC6A3CA12CA1CA9RAPGEF4
SCHEMBL13452475 0.70 HDAC3 (0.44) SLC6A3RAPGEF4
SCHEMBL25485523 0.69 CA12 (0.41) SLC6A3CA12CA1CA9
SCHEMBL20993112 0.69 CA12 (0.35) SLC6A3CA12CA1CA9
SCHEMBL18465499 0.69 CA12 (0.35) SLC6A3CA12CA1CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8741934-B2 Inhibitors of ion channels PFIZER LIMITED (GB) 2014-06-03 US disclosed
US-20130072471-A1 Inhibitors of Ion Channels MARRON BRIAN EDWARD (US) 2013-03-21 US disclosed
US-7390905-B2 Piperidine compound and process for preparing the same MITSUBISHI TANABE PHARMA CORPORATION (JP) 2008-06-24 US disclosed
US-7390905-B2 Piperidine compound and process for preparing the same MITSUBISHI TANABE PHARMA CORPORATION (JP) 2008-06-24 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
US-20070112029-A1 Piperidine compound and process for preparing the same TANABE SEIYAKU CO., LTD. (JP) 2007-05-17 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 (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-20130072471-A1 Inhibitors of Ion Channels TRPV1, TRPV5, TRPA1 SLC6A3 248/4885CA12 2666/4885CA1 1063/4885
US-20070112029-A1 Piperidine compound and process for preparing the same NPSR1, TACR1, PRLHR SLC6A3 1317/4885CA12 4471/4885CA1 2867/4885

“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.