SCHEMBL2955892

SCHEMBL2955892

Cc1c(C(N)=O)cccc1C1CCCCN1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 20/20 0.54
PARP2 Q9UGN5 6/20 0.48
MAP4K4 O95819 1/20 0.43
CSF1R P07333 1/20 0.43
PIM1 P11309 1/20 0.43
CLK2 P49760 1/20 0.43
MAP4K2 Q12851 1/20 0.43
DYRK1A Q13627 1/20 0.43
MINK1 Q8N4C8 1/20 0.43
AURKB Q96GD4 1/20 0.43
MAP4K5 Q9Y4K4 1/20 0.43
PARP3 Q9Y6F1 1/20 0.43
CYP2D6 P10635 1/20 0.40
CYP2B6 P20813 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
SCHEMBL27814421 0.85 PARP1 (0.55) PARP1PARP2MAP4K4CSF1RPIM1
Hydrochloric Acid SCHEMBL27637867 0.84 PARP1 (0.54) PARP1PARP2MAP4K4CSF1RPIM1
SCHEMBL7102979 0.82 PARP1 (0.52) PARP1PARP2MAP4K4CSF1RPIM1
SCHEMBL28944768 0.81 PARP1 (0.54) PARP1PARP2MAP4K4CSF1RPIM1
SCHEMBL27823213 0.81 PARP1 (0.54) PARP1PARP2MAP4K4CSF1RPIM1
SCHEMBL4781388 0.81 PARP1 (0.54) PARP1PARP2MAP4K4CSF1RPIM1
SCHEMBL7673622 0.80 PARP1 (0.54) PARP1PARP2MAP4K4CSF1RPIM1
SCHEMBL4150950 0.80 HSP90AA1 (0.44) PARP1
SCHEMBL3013229 0.80 PARP1 (0.40) PARP1PARP2PARP3
SCHEMBL4359674 0.79 KDM4E (0.45) PARP1CYP2D6CYP2B6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7750025-B2 Derivatives of N-phenyl (piperidine-2-yl) methyl benzamide, preparation method thereof and applications of same in therapeutics SANOFI-AVENTIS (FR) 2010-07-06 US disclosed
WO-2008018639-A2 GLYCINE TRANSPORTER INHIBITOR TAISHO PHARMACEUTICAL CO., LTD. (JP) 2008-02-14 WO disclosed
US-7205319-B2 exhibit a particular activity as specific inhibitors of the glycine transporters glyt1 and/or glyt2 SANOFI-AVENTIS (FR) 2007-04-17 US disclosed
US-20060223885-A1 Derivatives of N-phenyl (piperidine-2-yl) methyl benzamide, preparation method thereof and applications of same in therapeutics SANOFI-AVENTIS (FR) 2006-10-05 US disclosed
US-20050153963-A1 N-[phenyl (piperidin-2-yl) methyl]benzamide derivatives, preparation thereof, and use thereof in therapy SANOFI-AVENTIS (FR) 2005-07-14 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 (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-20050153963-A1 N-[phenyl (piperidin-2-yl) methyl]benzamide derivatives, preparation thereof, and use thereof in therapy HDAC6, NAT1, ARG2 PARP1 341/4885PARP2 235/4885MAP4K4 3328/4885
US-20060223885-A1 Derivatives of N-phenyl (piperidine-2-yl) methyl benzamide, preparation method thereof and applications of same in therapeutics GABRE, CHRNA5, GRIN2B PARP1 744/4885PARP2 697/4885MAP4K4 3128/4885

“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.