SCHEMBL6904670

SCHEMBL6904670

O=C([C@@H]1CCCCN1CC1CC1)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DPP8 Q6V1X1 3/20 0.49
DPP7 Q9UHL4 2/20 0.49
LMNA P02545 1/20 0.49
MAPT P10636 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
CACNA2D1 P54289 1/20 0.46
CACNA1B Q00975 1/20 0.46
CACNB1 Q02641 1/20 0.46
CACNA1C Q13936 1/20 0.46
CNR1 P21554 3/20 0.46
CNR2 P34972 2/20 0.46
DPP4 P27487 2/20 0.45
ACHE P22303 2/20 0.45
ALDH1A1 P00352 1/20 0.43
DPP9 Q86TI2 1/20 0.43
FAAH O00519 1/20 0.42
MGLL Q99685 1/20 0.42

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
SCHEMBL6662353 0.88 DPP8 (0.50) DPP8DPP7LMNAMAPTNPSR1
SCHEMBL6902204 0.88 DPP8 (0.50) DPP8DPP7LMNAMAPTNPSR1
SCHEMBL6902200 0.88 DPP8 (0.50) DPP8DPP7LMNAMAPTNPSR1
SCHEMBL6664724 0.87 DPP8 (0.49) DPP8DPP7LMNAMAPTNPSR1
SCHEMBL6659166 0.87 DPP8 (0.49) DPP8DPP7LMNAMAPTNPSR1
SCHEMBL6664503 0.85 MEN1 (0.42) LMNACACNA1BCACNA1CFAAH
SCHEMBL6904668 0.85 DPP8 (0.48) DPP8DPP7LMNAMAPTNPSR1
SCHEMBL6657239 0.85 DPP8 (0.48) DPP8DPP7LMNAMAPTNPSR1
SCHEMBL6663014 0.84 MAPT (0.54) DPP8DPP7LMNAMAPTNPSR1
SCHEMBL6908549 0.84 MAPT (0.54) DPP8DPP7LMNAMAPTNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1257544-B1 PIPERAZINE AND PIPERIDINE DERIVATIVES FOR TREATMENT OR PREVENTION OF NEURONAL DAMAGE VERTEX PHARMA (US) 2012-07-25 EP disclosed
EP-1257544-B1 PIPERAZINE AND PIPERIDINE DERIVATIVES FOR TREATMENT OR PREVENTION OF NEURONAL DAMAGE VERTEX PHARMA (US) 2012-07-25 EP disclosed
US-20040034019-A1 Piperazine and piperidine derivatives VERTEX PHARMACEUTICALS INCORPORATED 2004-02-19 US disclosed
US-20030191110-A1 Modulators of the cholesterol biosynthetic pathway VERTEX PHARMACEUTICALS, INCORPORATED 2003-10-09 US disclosed
EP-1257544-A2 PIPERAZINE AND PIPERIDINE DERIVATIVES FOR TREATMENT OR PREVENTION OF NEURONAL DAMAGE Vertex Pharmaceuticals Incorporated (US) 2002-11-20 EP disclosed
WO-2001058891-A2 PIPERAZINE AND PIPERIDINE DERIVATIVES FOR TREATMENT OR PREVENTION OF NEURONAL DAMAGE VERTEX PHARMACEUTICALS INCORPORATED (US) 2001-08-16 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-20040034019-A1 Piperazine and piperidine derivatives GAP43, BDNF, NGF DPP8 3289/4885DPP7 1179/4885LMNA 2715/4885
US-20030191110-A1 Modulators of the cholesterol biosynthetic pathway SREBF2, SREBF1, CYP46A1 DPP8 3218/4885DPP7 2985/4885LMNA 3377/4885

“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.