SCHEMBL1222016

SCHEMBL1222016

COCC1(Cc2ccc(Cl)c(Cl)c2)CCNCC1

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 12/20 0.48
SLC6A4 P31645 12/20 0.48
SLC6A3 Q01959 7/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
CHRNA7 P36544 1/20 0.45
SIGMAR1 Q99720 1/20 0.41

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 SCHEMBL1220811 0.89 MEN1 (0.41) SLC6A2SLC6A4SLC6A3CYP1A2CYP3A4
SCHEMBL1220897 0.86 SLC6A2 (0.50) SLC6A2SLC6A4SLC6A3CYP1A2CYP3A4
SCHEMBL1222362 0.83 CHRNA7 (0.54) SLC6A2SLC6A4SLC6A3CHRNA7SIGMAR1
SCHEMBL1220797 0.81 CHRNA7 (0.57) CHRNA7
SCHEMBL1220771 0.81 CHRNA7 (0.47) SLC6A2SLC6A4SLC6A3CHRNA7SIGMAR1
SCHEMBL12586345 0.81 SIGMAR1 (0.44) SLC6A2SLC6A4SLC6A3CHRNA7SIGMAR1
SCHEMBL1221854 0.81 SLC6A2 (0.54) SLC6A2SLC6A4SLC6A3CHRNA7SIGMAR1
SCHEMBL1221561 0.79 SLC6A4 (0.49) SLC6A2SLC6A4SLC6A3CYP1A2CYP3A4
Fumaric Acid SCHEMBL1220895 0.77 SLC6A2 (0.43) SLC6A2SLC6A4SLC6A3CHRNA7
SCHEMBL19157213 0.77 TACR1 (0.45) SLC6A2SLC6A4SLC6A3CYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110046179-A1 NOVEL PIPERIDINE DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS NEUROSEARCH A/S (DK) 2011-02-24 US claimed
US-20110046179-A1 NOVEL PIPERIDINE DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS NEUROSEARCH A/S (DK) 2011-02-24 US disclosed
US-20110046179-A1 NOVEL PIPERIDINE DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS NEUROSEARCH A/S (DK) 2011-02-24 US disclosed
US-20110046179-A1 NOVEL PIPERIDINE DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS NEUROSEARCH A/S (DK) 2011-02-24 US disclosed
EP-2059506-A1 NOVEL PIPERIDINE DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS NEUROSEARCH A/S (DK) 2009-05-20 EP disclosed
WO-2008025777-A1 NOVEL PIPERIDINE DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS NEUROSEARCH A/S (DK) 2008-03-06 WO disclosed
WO-2008025777-A1 NOVEL PIPERIDINE DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS NEUROSEARCH A/S (DK) 2008-03-06 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-20110046179-A1 NOVEL PIPERIDINE DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS SLC18A2, SLC18A3, SLC6A2 SLC6A2 3/4885SLC6A4 5/4885SLC6A3 4/4885

“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.