SCHEMBL1934784

SCHEMBL1934784

CN1CCC(C(C(=O)N(C)c2ccc(Cl)c(Cl)c2)/C(=C\C(=O)O)C(=O)O)CC1

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 8/20 0.34
OPRK1 P41145 7/20 0.34
CYP3A4 P08684 3/20 0.34
CYP2D6 P10635 3/20 0.34
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 1/20 0.34
TACR2 P21452 5/20 0.33
SLC6A3 Q01959 3/20 0.33
CHRM2 P08172 1/20 0.33
CHRM3 P20309 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
KDM2B Q8NHM5 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
SCHEMBL1936090 0.86 TP53 (0.35) UTS2RKDM4EALDH1A1TACR2SLC6A3
SCHEMBL2410809 0.80 KDM2B (0.40) UTS2RTACR2CHRM2CHRM3KDM2B
SCHEMBL2394311 0.80 NOS3 (0.34) KDM4E
SCHEMBL1936313 0.80 NOS3 (0.32) KDM4E
SCHEMBL1936591 0.79 HRH3 (0.39) UTS2ROPRK1CYP3A4CYP2D6TACR2
SCHEMBL1935943 0.79 TP53 (0.38) UTS2ROPRK1CYP3A4CYP2D6TACR2
SCHEMBL1936263 0.78 CACNA2D1 (0.38) CYP3A4KDM2B
SCHEMBL1936572 0.78 LMNA (0.42) CYP3A4
SCHEMBL1936656 0.77 HTR2A (0.34) KDM4EALDH1A1SLC6A2SLC6A4
SCHEMBL1935963 0.76 CACNA2D1 (0.32) KDM4E

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 UTS2R 2214/4885OPRK1 304/4885CYP3A4 491/4885

“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.