SCHEMBL2544643

SCHEMBL2544643

CCN(C(=O)CCCC1CCNCC1)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 8/20 0.47
TACR1 P25103 4/20 0.47
SLC6A2 P23975 7/20 0.42
SLC6A3 Q01959 5/20 0.42
PDK1 Q15118 1/20 0.41
PRMT5 O14744 1/20 0.40
WDR77 Q9BQA1 1/20 0.40
KCNH2 Q12809 1/20 0.38
HTR4 Q13639 1/20 0.38
CHRM1 P11229 1/20 0.38
FAAH O00519 1/20 0.37
OPRM1 P35372 1/20 0.37
OPRD1 P41143 1/20 0.37
OPRK1 P41145 1/20 0.37
ITGB3 P05106 1/20 0.37
ITGA2B P08514 1/20 0.37

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 SCHEMBL2548144 0.94 SLC6A4 (0.43) SLC6A4TACR1SLC6A2SLC6A3PDK1
SCHEMBL1937662 0.93 SLC6A4 (0.46) SLC6A4TACR1SLC6A2SLC6A3PDK1
Fumaric Acid SCHEMBL1937560 0.87 SLC6A4 (0.42) SLC6A4TACR1SLC6A2SLC6A3PDK1
SCHEMBL1937045 0.86 SLC6A4 (0.47) SLC6A4TACR1SLC6A2SLC6A3PDK1
SCHEMBL2541058 0.85 CCR5 (0.41) SLC6A4SLC6A2SLC6A3HTR4OPRM1
Hydrochloric Acid SCHEMBL1936328 0.85 SLC6A4 (0.47) SLC6A4TACR1SLC6A2SLC6A3PDK1
SCHEMBL1937232 0.84 SLC6A4 (0.44) SLC6A4TACR1SLC6A2SLC6A3PDK1
SCHEMBL1936902 0.83 PDK1 (0.40) SLC6A4TACR1SLC6A2SLC6A3PDK1
Fumaric Acid SCHEMBL2548804 0.80 CCR5 (0.38) SLC6A4SLC6A2SLC6A3HTR4OPRM1
SCHEMBL2545951 0.79 FAAH (0.46) FAAH

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110263651-A1 NOVEL PIPERIDINE-BUTYRAMIDE DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS NEUROSEARCH A/S (DK) 2011-10-27 US claimed
WO-2010060852-A1 NOVEL PIPERIDINE-BUTYRAMIDE DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS NEUROSEARCH A/S (DK) 2010-06-03 WO claimed
US-20110263651-A1 NOVEL PIPERIDINE-BUTYRAMIDE DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS NEUROSEARCH A/S (DK) 2011-10-27 US disclosed
WO-2010060852-A1 NOVEL PIPERIDINE-BUTYRAMIDE DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS NEUROSEARCH A/S (DK) 2010-06-03 WO 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-20110263651-A1 NOVEL PIPERIDINE-BUTYRAMIDE DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS SLC18A2, SLC6A2, SLC18A3 SLC6A4 4/4885TACR1 143/4885SLC6A2 2/4885

“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.