SCHEMBL924111

SCHEMBL924111

CCC(=O)N(c1ccc2cc(O)ccc2c1)C1CCN(C)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.52
CA1 P00915 2/20 0.52
CA2 P00918 2/20 0.52
CA4 P22748 2/20 0.52
CA5A P35218 2/20 0.52
CA7 P43166 2/20 0.52
CA9 Q16790 2/20 0.52
CA13 Q8N1Q1 2/20 0.52
CA14 Q9ULX7 2/20 0.52
OPRM1 P35372 7/20 0.47
OPRD1 P41143 7/20 0.47
SIGMAR1 Q99720 2/20 0.47
OPRK1 P41145 2/20 0.47
SLC22A1 O15245 1/20 0.47
NR1I2 O75469 1/20 0.47
ABCB1 P08183 1/20 0.47
CHRM1 P11229 1/20 0.47
DRD2 P14416 1/20 0.47
ADRA2B P18089 1/20 0.47
ADRA2C P18825 1/20 0.47

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
SCHEMBL923702 0.86 CA12 (0.51) CA12CA1CA2CA4CA5A
SCHEMBL923893 0.83 OPRM1 (0.72) CA12CA1CA2CA4CA5A
SCHEMBL5164451 0.78 OPRM1 (0.72) CA12CA1CA2CA4CA5A
SCHEMBL27808887 0.75 SLC6A4 (0.46) CA12CA1CA2CA4CA5A
SCHEMBL9845445 0.73 MEN1 (0.51) OPRM1OPRD1SIGMAR1OPRK1SLC22A1
SCHEMBL24726689 0.71 OPRM1 (0.62) CA12CA1CA2CA4CA5A
SCHEMBL926325 0.71 OPRM1 (0.69) CA12CA1CA2CA4CA5A
SCHEMBL990094 0.71 OPRM1 (0.87) CA12CA1CA2CA4CA5A
SCHEMBL989270 0.71 OPRM1 (0.81) CA12CA1CA2CA4CA5A
SCHEMBL924001 0.70 MC4R (0.49) CA12CA1CA2CA4CA5A

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 5 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-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

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-20110009449-A1 N-ARYL-N-PIPERIDIN-4-YL-PROPIONAMIDE DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS SLC18A2, SLC6A2, OPRL1 CA12 4832/4885CA1 4824/4885CA2 3376/4885

“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.