SCHEMBL4940903

SCHEMBL4940903

CC1CN(c2ccc(Cl)c(Cl)c2)CC(C)N1C

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 1/20 0.47
MAPT P10636 4/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
LMNA P02545 1/20 0.46
ALOX12 P18054 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
NOTUM Q6P988 1/20 0.45
HIF1A Q16665 1/20 0.43
DPP4 P27487 1/20 0.43
SLC6A2 P23975 3/20 0.42
SLC6A4 P31645 3/20 0.42
SLC6A3 Q01959 3/20 0.42
HTT P42858 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
BCL2A1 Q16548 2/20 0.40
MAPK1 P28482 1/20 0.40
ABL1 P00519 5/20 0.40

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
SCHEMBL4940899 1.00 ADRB1 (0.47) ADRB1MAPTSMN1; SMN2LMNAALOX12
SCHEMBL21447967 0.86 MAPT (0.47) ADRB1MAPTSMN1; SMN2LMNAL3MBTL1
SCHEMBL20180513 0.85 MAPT (0.39) ADRB1MAPTSMN1; SMN2LMNAALOX12
SCHEMBL2929747 0.82 DPP4 (0.47) ADRB1MAPTSMN1; SMN2LMNAALOX12
SCHEMBL2929745 0.82 DPP4 (0.47) ADRB1MAPTSMN1; SMN2LMNAALOX12
SCHEMBL6620647 0.81 NOTUM (0.48) ADRB1MAPTSMN1; SMN2LMNAALOX12
SCHEMBL15546813 0.80 MYC (0.52) MAPTSMN1; SMN2L3MBTL1NOTUMMEN1
SCHEMBL29506619 0.79 TSHR (0.45) MAPTLMNAL3MBTL1KMT2AMAPK1
SCHEMBL21373297 0.79 TSHR (0.45) MAPTLMNAL3MBTL1KMT2AMAPK1
SCHEMBL4933529 0.79 GHSR (0.54) ADRB1MAPTSMN1; SMN2LMNAALOX12

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 ADRB1 88/4885MAPT 803/4885SMN1; SMN2 1993/4885

“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.