SCHEMBL1935943

SCHEMBL1935943

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

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.38
HRH3 Q9Y5N1 1/20 0.35
UTS2R Q9UKP6 6/20 0.35
SLC6A4 P31645 3/20 0.34
SLC6A3 Q01959 3/20 0.34
UBE2M P61081 2/20 0.33
DCUN1D1 Q96GG9 2/20 0.33
CCR2 P41597 1/20 0.33
KCNH2 Q12809 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM3 P20309 1/20 0.33
CCR5 P51681 2/20 0.32
OPRK1 P41145 4/20 0.32
CYP3A4 P08684 2/20 0.32
CYP2D6 P10635 2/20 0.32
TACR2 P21452 1/20 0.32
SLC6A2 P23975 2/20 0.31

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
SCHEMBL1936591 0.90 HRH3 (0.39) HRH3UTS2RCCR2KCNH2CHRM2
SCHEMBL2410809 0.88 KDM2B (0.40) UTS2RUBE2MDCUN1D1CHRM2CHRM3
SCHEMBL1936090 0.83 TP53 (0.35) TP53UTS2RSLC6A4SLC6A3CHRM2
SCHEMBL1936313 0.82 NOS3 (0.32)
SCHEMBL2394311 0.82 NOS3 (0.34)
SCHEMBL1936263 0.79 CACNA2D1 (0.38) CYP3A4
SCHEMBL1935057 0.79 SLC6A4 (0.42) TP53SLC6A4SLC6A3SLC6A2
SCHEMBL1936566 0.79 SLC6A4 (0.35) SLC6A4SLC6A3SLC6A2
SCHEMBL1936508 0.79 SLC6A4 (0.37) SLC6A4SLC6A3SLC6A2
SCHEMBL1934784 0.79 UTS2R (0.34) UTS2RSLC6A4SLC6A3CHRM2CHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110212997-A1 PIPERIDINE-4-ACETAMIDE DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS NEUROSEARCH A/S (DK) 2011-09-01 US disclosed
EP-2331505-A2 PIPERIDINE-4-ACETAMIDE DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS NeuroSearch A/S (DK) 2011-06-15 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-20110212997-A1 PIPERIDINE-4-ACETAMIDE DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS SLC18A2, SLC6A2, SLC18A3 TP53 4874/4885HRH3 140/4885UTS2R 2214/4885

“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.