SCHEMBL924699

SCHEMBL924699

CCC(=O)N(c1ccc(Cl)c(OC)c1)C1CCN(Cc2ccccc2)CC1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 5/20 0.69
SIGMAR1 Q99720 2/20 0.69
OPRD1 P41143 3/20 0.64
CHRM3 P20309 7/20 0.59
CHRM2 P08172 6/20 0.59
SLC22A1 O15245 1/20 0.55
NR1I2 O75469 1/20 0.55
ABCB1 P08183 1/20 0.55
CHRM1 P11229 1/20 0.55
DRD2 P14416 1/20 0.55
ADRA2B P18089 1/20 0.55
ADRA2C P18825 1/20 0.55
MAOA P21397 1/20 0.55
DRD4 P21917 1/20 0.55
MAOB P27338 1/20 0.55
ADRA1A P35348 1/20 0.55
HRH1 P35367 1/20 0.55
ADRA1B P35368 1/20 0.55
DRD3 P35462 1/20 0.55
OPRK1 P41145 1/20 0.55

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
SCHEMBL924276 0.89 OPRM1 (0.77) OPRM1SIGMAR1OPRD1CHRM3CHRM2
SCHEMBL15920013 0.86 OPRM1 (0.80) OPRM1SIGMAR1OPRD1CHRM3CHRM2
SCHEMBL926325 0.86 OPRM1 (0.69) OPRM1SIGMAR1OPRD1CHRM3CHRM2
SCHEMBL1173407 0.84 OPRM1 (0.56) OPRM1SIGMAR1OPRD1CHRM3SLC22A1
SCHEMBL1172872 0.83 OPRM1 (0.58) OPRM1SIGMAR1OPRD1CHRM3SLC22A1
SCHEMBL925917 0.83 OPRM1 (0.86) OPRM1SIGMAR1OPRD1CHRM3CHRM2
SCHEMBL6045571 0.83 OPRM1 (1.00) OPRM1SIGMAR1OPRD1CHRM3CHRM2
SCHEMBL1172750 0.82 OPRM1 (0.56) OPRM1SIGMAR1OPRD1CHRM3SLC22A1
SCHEMBL8569723 0.82 CHRM2 (0.70) OPRM1SIGMAR1OPRD1CHRM3CHRM2
Hydrochloric Acid SCHEMBL29651340 0.81 OPRM1 (0.97) OPRM1SIGMAR1OPRD1CHRM3CHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 OPRM1 4/4885SIGMAR1 26/4885OPRD1 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 OPRM1 24/4885SIGMAR1 62/4885OPRD1 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.