SCHEMBL3397674

SCHEMBL3397674

CCN(C(=O)C1CCN(C(=O)OC(C)(C)C)CC1)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTPRB P23467 1/20 0.48
PTPN11 Q06124 1/20 0.48
STS P08842 6/20 0.48
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
PTPN2 P17706 1/20 0.46
PTPN1 P18031 1/20 0.46
PTPN6 P29350 1/20 0.46
CCR5 P51681 6/20 0.45
TACR3 P29371 1/20 0.44
TSHR P16473 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 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
SCHEMBL1936320 0.86 TGFBR1 (0.44) STSMEN1KMT2A
SCHEMBL1936860 0.85 TGFBR1 (0.43) STSMEN1KMT2A
SCHEMBL2340961 0.85 PTPRB (0.52) PTPRBPTPN11STSMEN1KMT2A
SCHEMBL2545951 0.84 FAAH (0.46) STSMEN1KMT2A
SCHEMBL13326726 0.81 CCR5 (0.52) PTPRBPTPN11CCR5
SCHEMBL11904712 0.81 PTPRB (0.45) PTPRBPTPN11STSMEN1KMT2A
SCHEMBL5085615 0.77 CNR2 (0.53) CCR5RAB9A
SCHEMBL5940516 0.77 STS (0.57) STSMEN1KMT2APTPN2PTPN1
SCHEMBL17367288 0.77 STS (0.54) PTPRBPTPN11STSMEN1KMT2A
SCHEMBL1946598 0.75 PTPN2 (0.72) STSMEN1KMT2APTPN2PTPN1

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-20110053985-A1 NOVEL PIPERIDINE-4-CARBOXYLIC ACID PHENYL-ALKYL-AMIDE DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS NEUROSEARCH A/S (DK) 2011-03-03 US disclosed
EP-2245011-A1 NOVEL PIPERIDINE-4-CARBOXYLIC ACID PHENYL-ALKYL-AMIDE DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS NeuroSearch A/S (DK) 2010-11-03 EP disclosed
WO-2009090173-A1 NOVEL PIPERIDINE-4-CARBOXYLIC ACID PHENYL-ALKYL-AMIDE DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS NEUROSEARCH A/S (DK) 2009-07-23 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 (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-20110053985-A1 NOVEL PIPERIDINE-4-CARBOXYLIC ACID PHENYL-ALKYL-AMIDE DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS SLC18A2, SLC6A2, SLC18A3 PTPRB 2802/4885PTPN11 3436/4885STS 3666/4885

“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.