SCHEMBL2399018

SCHEMBL2399018

CCN(C(=O)CC1CCN(C)CC1)c1c(Cl)cccc1Cl

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
OPRM1 P35372 3/20 0.40
DRD2 P14416 3/20 0.39
DRD3 P35462 2/20 0.39
HPGD P15428 1/20 0.37
OPRD1 P41143 1/20 0.37
OPRK1 P41145 1/20 0.37
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
KDM4E B2RXH2 1/20 0.37
TSHR P16473 1/20 0.37
MAPT P10636 1/20 0.37
GHSR Q92847 1/20 0.36
SSTR1 P30872 1/20 0.36
SSTR4 P31391 1/20 0.36
DRD4 P21917 1/20 0.36

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
Fumaric Acid SCHEMBL2396770 0.93 HRH1 (0.39) ALDH1A1OPRM1DRD2HPGDKDM4E
SCHEMBL2396429 0.86 ALDH1A1 (0.42) ALDH1A1OPRM1DRD2DRD3HPGD
SCHEMBL2394407 0.83 SLC6A4 (0.46) OPRK1
SCHEMBL2395522 0.81 CYP1A2 (0.46) ALDH1A1OPRM1HPGDOPRD1OPRK1
Fumaric Acid SCHEMBL1934763 0.81 ALDH1A1 (0.40) ALDH1A1OPRM1DRD2DRD3KDM4E
SCHEMBL2396182 0.81 CYP3A4 (0.44) OPRM1
SCHEMBL2396105 0.80 ALDH1A1 (0.35) ALDH1A1DRD2DRD3KDM4ETSHR
SCHEMBL2395603 0.80 CCR5 (0.41) OPRM1OPRD1OPRK1
SCHEMBL2394055 0.79 CYP3A4 (0.40) HTR2ATSHR
Hydrochloric Acid SCHEMBL2396854 0.79 OPRM1 (0.41) OPRM1OPRD1OPRK1

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 claimed
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

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 ALDH1A1 170/4885OPRM1 186/4885DRD2 32/4885

“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.