SCHEMBL4935348

SCHEMBL4935348

CC1CN(c2ccc(Cl)c(Cl)c2)C(C)CN1

nearest known ligand 0.67

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BCL2A1 Q16548 2/20 0.45
SLC6A2 P23975 7/20 0.44
SLC6A4 P31645 7/20 0.44
SLC6A3 Q01959 6/20 0.44
ABL1 P00519 3/20 0.39
ADRB1 P08588 1/20 0.39
WEE1 P30291 1/20 0.38
MMP2 P08253 4/20 0.38
ADAMTS5 Q9UNA0 4/20 0.38
MMP14 P50281 2/20 0.38
MMP13 P45452 1/20 0.38
ADAMTS4 O75173 1/20 0.37

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
SCHEMBL5178255 1.00 BCL2A1 (0.45) BCL2A1SLC6A2SLC6A4SLC6A3ABL1
SCHEMBL4938713 1.00 BCL2A1 (0.45) BCL2A1SLC6A2SLC6A4SLC6A3ABL1
SCHEMBL14311559 0.88 ADAMTS5 (0.40) BCL2A1SLC6A2SLC6A4WEE1ADAMTS5
SCHEMBL3465481 0.84 ADAMTS5 (0.42) WEE1ADAMTS5ADAMTS4
SCHEMBL3465038 0.84 ADAMTS5 (0.42) WEE1ADAMTS5ADAMTS4
SCHEMBL3465040 0.84 ADAMTS5 (0.42) WEE1ADAMTS5ADAMTS4
SCHEMBL3465474 0.84 ADAMTS5 (0.42) WEE1ADAMTS5ADAMTS4
SCHEMBL3465043 0.84 ADAMTS5 (0.42) WEE1ADAMTS5ADAMTS4
SCHEMBL23134696 0.83 AR (0.52)
SCHEMBL4596985 0.83 AR (0.52)

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 4 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
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
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 BCL2A1 4197/4885SLC6A2 2/4885SLC6A4 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.