SCHEMBL4940440

SCHEMBL4940440

CC1CN(c2ccc(Cl)cc2)C(C)CN1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.40
DRD4 P21917 1/20 0.40
MDM2 Q00987 1/20 0.39
CDK4 P11802 1/20 0.37
CCND1 P24385 1/20 0.37
ADAMTS5 Q9UNA0 4/20 0.35
MMP14 P50281 2/20 0.35
MMP2 P08253 1/20 0.35
MAPK1 P28482 1/20 0.34
LMNA P02545 1/20 0.33
MEN1 O00255 1/20 0.33
POLB P06746 1/20 0.33
KMT2A Q03164 1/20 0.33
ACHE P22303 1/20 0.33
PSEN1 P49768 1/20 0.33
PSEN2 P49810 1/20 0.33
APH1B Q8WW43 1/20 0.33
NCSTN Q92542 1/20 0.33
APH1A Q96BI3 1/20 0.33
PSENEN Q9NZ42 1/20 0.33

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
SCHEMBL4940436 1.00 DRD2 (0.40) DRD2DRD4MDM2CDK4CCND1
Fumaric Acid SCHEMBL27669967 0.87 MDM2 (0.43) DRD2DRD4MDM2CDK4CCND1
SCHEMBL25839417 0.82 L3MBTL1 (0.42) CDK4CCND1MAPK1LMNAMEN1
SCHEMBL1048007 0.81 MAPT (0.40) CDK4CCND1MAPK1LMNAMEN1
SCHEMBL12424155 0.81 MAPT (0.40) CDK4CCND1MAPK1LMNAMEN1
SCHEMBL1048008 0.81 MAPT (0.40) CDK4CCND1MAPK1LMNAMEN1
SCHEMBL13380438 0.81 MAPK1 (0.50) CDK4CCND1MAPK1LMNAPOLB
SCHEMBL4939157 0.81 SLC6A2 (0.40) ADAMTS5MMP14MMP2
SCHEMBL4941676 0.81 SLC6A2 (0.40) ADAMTS5MMP14MMP2
SCHEMBL4941686 0.81 SLC6A2 (0.40) ADAMTS5MMP14MMP2

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-20080176856-A1 Novel Alkyl Substituted Piperidine Derivatives and Their Use as Monoamine Neurotransmitter Re-Uptake Inhibitors NEUROSEARCH A/S (DK) 2008-07-24 US claimed
CN-1964958-A Novel alkyl substituted piperazine derivatives as monoamine neurotransmitter re-uptake inhibitors NEUROSEARCH AS (DK) 2007-05-16 CN claimed
EP-1761512-A1 NOVEL ALKYL SUBSTITUTED PIPERAZINE DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS NEUROSEARCH A/S (DK) 2007-03-14 EP claimed
WO-2005123707-A1 NOVEL ALKYL SUBSTITUTED PIPERAZINE DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS NEUROSEARCH A/S (DK) 2005-12-29 WO claimed
US-20080176856-A1 Novel Alkyl Substituted Piperidine Derivatives and Their Use as Monoamine Neurotransmitter Re-Uptake Inhibitors NEUROSEARCH A/S (DK) 2008-07-24 US disclosed
CN-1964958-A Novel alkyl substituted piperazine derivatives as monoamine neurotransmitter re-uptake inhibitors NEUROSEARCH AS (DK) 2007-05-16 CN disclosed
EP-1761512-A1 NOVEL ALKYL SUBSTITUTED PIPERAZINE DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS NEUROSEARCH A/S (DK) 2007-03-14 EP disclosed
WO-2005123707-A1 NOVEL ALKYL SUBSTITUTED PIPERAZINE DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS NEUROSEARCH A/S (DK) 2005-12-29 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-20080176856-A1 Novel Alkyl Substituted Piperidine Derivatives and Their Use as Monoamine Neurotransmitter Re-Uptake Inhibitors SLC18A2, SLC6A2, SLC18A3 DRD2 28/4885DRD4 43/4885MDM2 4481/4885

“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.