SCHEMBL1936090

SCHEMBL1936090

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

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.35
PGR P06401 1/20 0.35
UTS2R Q9UKP6 2/20 0.35
KDM2B Q8NHM5 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
CCR5 P51681 9/20 0.34
CHRM2 P08172 1/20 0.33
CHRM3 P20309 1/20 0.33
CCKBR P32239 1/20 0.33
TACR2 P21452 1/20 0.33
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
SLC6A3 Q01959 1/20 0.32

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
SCHEMBL1935057 0.89 SLC6A4 (0.42) TP53SLC6A2SLC6A4SLC6A3
SCHEMBL1934784 0.86 UTS2R (0.34) UTS2RKDM2BKDM4EALDH1A1CHRM2
SCHEMBL2410809 0.86 KDM2B (0.40) UTS2RKDM2BCCR5CHRM2CHRM3
SCHEMBL2394311 0.84 NOS3 (0.34) PGRKDM4E
SCHEMBL1936313 0.84 NOS3 (0.32) KDM4E
SCHEMBL1936591 0.84 HRH3 (0.39) UTS2RCCR5CHRM2CHRM3TACR2
SCHEMBL1935943 0.83 TP53 (0.38) TP53UTS2RCCR5CHRM2CHRM3
SCHEMBL1936263 0.81 CACNA2D1 (0.38) KDM2B
SCHEMBL2396813 0.80 CCR5 (0.38) KDM4EALDH1A1CCR5
SCHEMBL1936656 0.80 HTR2A (0.34) TP53KDM4EALDH1A1SLC6A2SLC6A4

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 4874/4885PGR 2155/4885UTS2R 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.