Sugi Predict

Sugi Predict / Compounds / SCHEMBL3429388

SCHEMBL3429388

SCHEMBL3429388

C=CCC1C(OC(c2ccccc2)c2ccccc2)CCN(CC=C)C1(CC=C)CC=C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC6A2 P23975 3/20 0.37
▸ DRD3 P35462 3/20 0.37
▸ SLC6A3 Q01959 3/20 0.35
▸ CHRM2 P08172 2/20 0.35
▸ ADRA2A P08913 2/20 0.35
▸ CHRM1 P11229 2/20 0.35
▸ DRD1 P21728 2/20 0.35
▸ ADRA1A P35348 2/20 0.35
▸ OPRM1 P35372 2/20 0.35
▸ KCNH2 Q12809 2/20 0.35
▸ HTR1A P08908 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ HRH3 Q9Y5N1 1/20 0.35
▸ SLC6A4 P31645 2/20 0.34
▸ OPRD1 P41143 2/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ CHRM4 P08173 1/20 0.34
▸ CHRM5 P08912 1/20 0.34
▸ DRD2 P14416 1/20 0.34
▸ ADRA2B P18089 1/20 0.34

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
SCHEMBL5289577 0.69 MEN1 (0.31) —
SCHEMBL9565272 0.69 — —
SCHEMBL3756511 0.65 — —
SCHEMBL11572048 0.65 HTR1A (0.32) HTR1A
SCHEMBL9366717 0.63 — —
SCHEMBL9672067 0.63 DRD3 (0.47) SLC6A2DRD3SLC6A3CHRM2ADRA2A
SCHEMBL9366713 0.62 — —
SCHEMBL526797 0.60 GAA (0.31) MAPK1GAA
SCHEMBL10588524 0.59 — —
Ammonia Solution, Strong SCHEMBL28937188 0.59 GAA (0.31) MAPK1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110053984-A1 NOVEL 4-BENZHYDRYLOXY-TETRAALKYL-PIPERIDINE DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS NEUROSEARCH A/S (DK) 2011-03-03 — — US disclosed
US-20110053984-A1 NOVEL 4-BENZHYDRYLOXY-TETRAALKYL-PIPERIDINE DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS NEUROSEARCH A/S (DK) 2011-03-03 — — US disclosed
CN-101959858-A Novel 4-benzhydryloxy-tetraalkyl-piperidine derivatives and their use as monoamine neurotransmitter re-uptatke inhibitors NEUROSEARCH AS 2011-01-26 — — CN disclosed
CN-101959858-A Novel 4-benzhydryloxy-tetraalkyl-piperidine derivatives and their use as monoamine neurotransmitter re-uptatke inhibitors NEUROSEARCH AS 2011-01-26 — — CN disclosed
EP-2254866-A1 NOVEL 4-BENZHYDRYLOXY-TETRAALKYL-PIPERIDINE DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTATKE INHIBITORS NeuroSearch A/S (DK) 2010-12-01 — — EP disclosed
WO-2009109519-A1 NOVEL 4-BENZHYDRYLOXY-TETRAALKYL-PIPERIDINE DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTATKE INHIBITORS NEUROSEARCH A/S (DK) 2009-09-11 — — 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-20110053984-A1 NOVEL 4-BENZHYDRYLOXY-TETRAALKYL-PIPERIDINE DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS SLC6A2, SLC6A4, SLC18A2 SLC6A2 1/4885DRD3 26/4885SLC6A3 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.