SCHEMBL4933532

SCHEMBL4933532

CC1CN(c2ccc(Cl)c(Cl)c2)CC(C)N1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 6/20 0.54
ADRB1 P08588 1/20 0.51
BCL2A1 Q16548 2/20 0.49
HTT P42858 1/20 0.49
PTPN11 Q06124 1/20 0.48
LMNA P02545 1/20 0.46
MAPT P10636 1/20 0.46
ALOX12 P18054 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
NOTUM Q6P988 1/20 0.45
SLC6A2 P23975 2/20 0.44
SLC6A4 P31645 2/20 0.44
SLC6A3 Q01959 1/20 0.44
ABL1 P00519 3/20 0.43
DPP4 P27487 1/20 0.43

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
SCHEMBL4933529 1.00 GHSR (0.54) GHSRADRB1BCL2A1HTTPTPN11
SCHEMBL4801586 0.85 HTT (0.46) GHSRBCL2A1HTTPTPN11LMNA
SCHEMBL4801584 0.85 HTT (0.46) GHSRBCL2A1HTTPTPN11LMNA
SCHEMBL4216171 0.85 HTT (0.46) GHSRBCL2A1HTTPTPN11NOTUM
SCHEMBL4216169 0.85 HTT (0.46) GHSRBCL2A1HTTPTPN11NOTUM
Hydrochloric Acid SCHEMBL4219984 0.83 HTT (0.45) GHSRHTTPTPN11NOTUM
Hydrochloric Acid SCHEMBL4219981 0.83 HTT (0.45) GHSRHTTPTPN11NOTUM
SCHEMBL18013225 0.81 BCL2A1 (0.66) ADRB1BCL2A1HTTLMNAMAPT
SCHEMBL4936462 0.81 BCL2A1 (0.66) ADRB1BCL2A1HTTLMNAMAPT
SCHEMBL1471198 0.81 NOTUM (0.52) GHSRHTTNOTUMDPP4

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 GHSR 1655/4885ADRB1 88/4885BCL2A1 4197/4885

“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.