SCHEMBL3038014

SCHEMBL3038014

CCC(=O)N(CC1CCN(C)CC1)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 3/20 0.43
OPRM1 P35372 7/20 0.43
ACHE P22303 1/20 0.43
CCR5 P51681 4/20 0.41
CHRM3 P20309 1/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
SLC6A3 Q01959 1/20 0.40

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
SCHEMBL3039337 0.84 PDK1 (0.48) CHRM3SLC6A2SLC6A4SLC6A3
SCHEMBL2395603 0.83 CCR5 (0.41) OPRD1OPRM1CCR5CHRM3SLC6A2
Hydrochloric Acid SCHEMBL2396854 0.82 OPRM1 (0.41) OPRD1OPRM1CCR5CHRM3SLC6A2
SCHEMBL1937237 0.81 HTR4 (0.43) OPRM1ACHECCR5CHRM3SLC6A2
SCHEMBL2393607 0.81 PGR (0.43) OPRM1ACHECCR5CHRM3
SCHEMBL2541058 0.79 CCR5 (0.41) OPRM1ACHECCR5CHRM3SLC6A2
SCHEMBL3364749 0.79 ACHE (0.43) OPRM1ACHECCR5
SCHEMBL2397352 0.78 OPRK1 (0.42) OPRD1OPRM1CCR5CHRM3SLC6A2
Trifluoroacetic Acid SCHEMBL3029533 0.78 TACR1 (0.46) OPRD1ACHECHRM3SLC6A2SLC6A4
SCHEMBL3757785 0.76 OPRM1 (0.69) OPRD1OPRM1ACHECCR5

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-20100204275-A1 N-PIPERIDIN-4-YLMETHYL-AMIDE DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS NEUROSEARCH A/S (DK) 2010-08-12 US claimed
US-20100204275-A1 N-PIPERIDIN-4-YLMETHYL-AMIDE DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS NEUROSEARCH A/S (DK) 2010-08-12 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-20100204275-A1 N-PIPERIDIN-4-YLMETHYL-AMIDE DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS SLC18A2, SLC6A2, SLC18A3 OPRD1 125/4885OPRM1 55/4885ACHE 96/4885

“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.