SCHEMBL923866

SCHEMBL923866

CCC(=O)N(c1ccc(Cl)c(OC)c1)C1CCNCC1

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 7/20 0.55
SLC6A4 P31645 6/20 0.55
OPRD1 P41143 2/20 0.49
SLC6A2 P23975 4/20 0.44
QPCT Q16769 1/20 0.44
SLC6A3 Q01959 2/20 0.40
KCNH2 Q12809 1/20 0.40
OPRM1 P35372 1/20 0.40
SIGMAR1 Q99720 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
SCHEMBL924943 0.87 SLC6A4 (0.67) TACR1SLC6A4OPRD1SLC6A2SLC6A3
SCHEMBL924001 0.82 MC4R (0.49) TACR1SLC6A4OPRD1SLC6A2SLC6A3
SCHEMBL926471 0.80 SLC6A4 (0.51) TACR1SLC6A4OPRD1SLC6A2SLC6A3
SCHEMBL924699 0.80 OPRM1 (0.69) OPRD1SLC6A3KCNH2OPRM1SIGMAR1
SCHEMBL8569135 0.79 SLC6A4 (0.72) TACR1SLC6A4SLC6A2SLC6A3KCNH2
SCHEMBL13543093 0.78 SLC6A2 (0.46) SLC6A4OPRD1SLC6A2SLC6A3KCNH2
SCHEMBL1172872 0.78 OPRM1 (0.58) OPRD1SLC6A3KCNH2OPRM1SIGMAR1
SCHEMBL924025 0.77 TACR1 (0.49) TACR1SLC6A4OPRD1SLC6A2SLC6A3
SCHEMBL1172750 0.76 OPRM1 (0.56) OPRD1SLC6A3KCNH2OPRM1SIGMAR1
SCHEMBL5143490 0.76 SLC6A4 (0.46) TACR1SLC6A4OPRD1SLC6A2SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110009449-A1 N-ARYL-N-PIPERIDIN-4-YL-PROPIONAMIDE DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS NEUROSEARCH A/S (DK) 2011-01-13 US claimed
US-20110046180-A1 N-ARYL-N-PIPERIDIN-4-YL-PROPIONAMIDE DERIVATIVES AND THEIR USE AS OPIOID RECEPTOR LIGANDS NEUROSEARCH A/S (DK) 2011-02-24 US disclosed
US-20110046180-A1 N-ARYL-N-PIPERIDIN-4-YL-PROPIONAMIDE DERIVATIVES AND THEIR USE AS OPIOID RECEPTOR LIGANDS NEUROSEARCH A/S (DK) 2011-02-24 US disclosed
US-20110046180-A1 N-ARYL-N-PIPERIDIN-4-YL-PROPIONAMIDE DERIVATIVES AND THEIR USE AS OPIOID RECEPTOR LIGANDS NEUROSEARCH A/S (DK) 2011-02-24 US disclosed
US-20110009449-A1 N-ARYL-N-PIPERIDIN-4-YL-PROPIONAMIDE DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS NEUROSEARCH A/S (DK) 2011-01-13 US disclosed
US-20110009449-A1 N-ARYL-N-PIPERIDIN-4-YL-PROPIONAMIDE DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS NEUROSEARCH A/S (DK) 2011-01-13 US disclosed
US-20110009449-A1 N-ARYL-N-PIPERIDIN-4-YL-PROPIONAMIDE DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS NEUROSEARCH A/S (DK) 2011-01-13 US disclosed
EP-2234616-A1 N-ARYL-N-PIPERIDIN-4-YL-PROPIONAMIDE DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS NeuroSearch A/S (DK) 2010-10-06 EP disclosed
WO-2009077585-A1 N-ARYL-N-PIPERIDIN-4-YL-PROPIONAMIDE DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS NEUROSEARCH A/S (DK) 2009-06-25 WO disclosed
WO-2009077585-A1 N-ARYL-N-PIPERIDIN-4-YL-PROPIONAMIDE DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS NEUROSEARCH A/S (DK) 2009-06-25 WO disclosed
WO-2009077584-A1 N-ARYL-N-PIPERIDIN-4-YL-PROPIONAMIDE DERIVATIVES AND THEIR USE AS OPIOID RECEPTOR LIGANDS NEUROSEARCH A/S (DK) 2009-06-25 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 (2 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-20110046180-A1 N-ARYL-N-PIPERIDIN-4-YL-PROPIONAMIDE DERIVATIVES AND THEIR USE AS OPIOID RECEPTOR LIGANDS OPRL1, OPRD1, OPRK1 TACR1 50/4885SLC6A4 853/4885OPRD1 2/4885
US-20110009449-A1 N-ARYL-N-PIPERIDIN-4-YL-PROPIONAMIDE DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS SLC18A2, SLC6A2, OPRL1 TACR1 139/4885SLC6A4 4/4885OPRD1 21/4885

“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.