SCHEMBL924943

SCHEMBL924943

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

nearest known ligand 0.67

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 10/20 0.67
TACR1 P25103 7/20 0.67
SLC6A2 P23975 8/20 0.48
SLC6A3 Q01959 6/20 0.48
KCNH2 Q12809 2/20 0.47
OPRD1 P41143 1/20 0.45
CHRM2 P08172 1/20 0.44
CHRM3 P20309 1/20 0.44
OPRM1 P35372 1/20 0.43
SIGMAR1 Q99720 1/20 0.43

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
SCHEMBL923866 0.87 TACR1 (0.55) SLC6A4TACR1SLC6A2SLC6A3KCNH2
SCHEMBL8569135 0.86 SLC6A4 (0.72) SLC6A4TACR1SLC6A2SLC6A3KCNH2
SCHEMBL926471 0.85 SLC6A4 (0.51) SLC6A4TACR1SLC6A2SLC6A3KCNH2
SCHEMBL924025 0.82 TACR1 (0.49) SLC6A4TACR1SLC6A2SLC6A3KCNH2
SCHEMBL3039337 0.80 PDK1 (0.48) SLC6A4TACR1SLC6A2SLC6A3KCNH2
SCHEMBL926462 0.79 OPRM1 (0.61) SLC6A4SLC6A2SLC6A3KCNH2OPRD1
SCHEMBL23256449 0.79 TACR1 (0.49) SLC6A4TACR1SLC6A2SLC6A3KCNH2
SCHEMBL3038017 0.79 SLC6A4 (0.54) SLC6A4TACR1SLC6A2SLC6A3KCNH2
Hydrochloric Acid SCHEMBL3631089 0.78 OPRM1 (0.60) SLC6A4SLC6A2SLC6A3KCNH2OPRD1
SCHEMBL924001 0.78 MC4R (0.49) SLC6A4TACR1SLC6A2SLC6A3KCNH2

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 19 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
US-20100331367-A1 N-ARYL-N-PIPERIDIN-4-YL-PROPIONAMIDE DERIVATIVES AND THEIR USE AS OPIOID RECEPTOR LIGANDS NEUROSEARCH A/S (DK) 2010-12-30 US disclosed
EP-2234972-A1 N-ARYL-N-PIPERIDIN-4-YL-PROPIONAMIDE DERIVATIVES AND THEIR USE AS OPIOID RECEPTOR LIGANDS NeuroSearch A/S (DK) 2010-10-06 EP 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
EP-2235006-A1 N-ARYL-N-PIPERIDIN-4-YL-PROPIONAMIDE DERIVATIVES AND THEIR USE AS OPIOID RECEPTOR LIGANDS NeuroSearch A/S (DK) 2010-10-06 EP disclosed
WO-2009077574-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
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
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
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
EP-0708101-B1 Piperidine derivatives, useful as neurokinin receptor antagonists ADIR (FR) 1998-12-09 EP disclosed
US-5652246-A NEUROKININ RECEPTOR ANTAGONISTS; NERVOUS SYSTEM DISORDERS ADIR ET COMPAGNIE (FR) 1997-07-29 US disclosed
EP-0708101-A1 Novel piperidine derivatives, useful as neurokinin receptor antagonists ADIR ET COMPAGNIE (FR) 1996-04-24 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 (3 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 SLC6A4 853/4885TACR1 50/4885SLC6A2 1301/4885
US-20110009449-A1 N-ARYL-N-PIPERIDIN-4-YL-PROPIONAMIDE DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS SLC18A2, SLC6A2, OPRL1 SLC6A4 4/4885TACR1 139/4885SLC6A2 2/4885
US-20100331367-A1 N-ARYL-N-PIPERIDIN-4-YL-PROPIONAMIDE DERIVATIVES AND THEIR USE AS OPIOID RECEPTOR LIGANDS OPRL1, OPRD1, OPRK1 SLC6A4 853/4885TACR1 50/4885SLC6A2 1301/4885

“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.