SCHEMBL1936591

SCHEMBL1936591

CCN1CCC(C(C(=O)N(CC)c2ccc(Cl)c(Cl)c2)/C(=C\C(=O)O)C(=O)O)CC1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.39
CHRM2 P08172 1/20 0.37
CHRM3 P20309 1/20 0.37
UTS2R Q9UKP6 9/20 0.37
OPRK1 P41145 7/20 0.34
CYP3A4 P08684 3/20 0.34
CYP2D6 P10635 3/20 0.34
CCR5 P51681 6/20 0.34
TACR2 P21452 2/20 0.34
CCR2 P41597 1/20 0.33
KCNH2 Q12809 1/20 0.33

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
SCHEMBL2410809 0.93 KDM2B (0.40) CHRM2CHRM3UTS2RCCR5TACR2
SCHEMBL1935943 0.90 TP53 (0.38) HRH3CHRM2CHRM3UTS2ROPRK1
SCHEMBL1936090 0.84 TP53 (0.35) CHRM2CHRM3UTS2RCCR5TACR2
SCHEMBL1936313 0.83 NOS3 (0.32)
SCHEMBL2394311 0.83 NOS3 (0.34)
SCHEMBL1936263 0.80 CACNA2D1 (0.38) CYP3A4
SCHEMBL1935057 0.80 SLC6A4 (0.42)
SCHEMBL1936566 0.79 SLC6A4 (0.35)
SCHEMBL1936508 0.79 SLC6A4 (0.37)
SCHEMBL1934784 0.79 UTS2R (0.34) CHRM2CHRM3UTS2ROPRK1CYP3A4

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 HRH3 140/4885CHRM2 441/4885CHRM3 780/4885

“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.