SCHEMBL4933476

SCHEMBL4933476

C[C@@H]1CN(c2ccc(Cl)cc2Cl)C[C@H](C)N1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.51
NOTUM Q6P988 1/20 0.48
ALDH1A1 P00352 2/20 0.45
LMNA P02545 1/20 0.45
HTR6 P50406 1/20 0.44
MEN1 O00255 1/20 0.43
MAPT P10636 1/20 0.43
ALOX12 P18054 1/20 0.43
KMT2A Q03164 1/20 0.43
PTPN11 Q06124 2/20 0.40
BCL2A1 Q16548 1/20 0.40
AKR1C3 P42330 1/20 0.40
GHSR Q92847 2/20 0.39
MAPK13 O15264 1/20 0.39
MAPK12 P53778 1/20 0.39
MAPK11 Q15759 1/20 0.39
MAPK14 Q16539 1/20 0.39
POLB P06746 1/20 0.39
DRD2 P14416 2/20 0.39
DRD4 P21917 2/20 0.39

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
SCHEMBL4933480 1.00 HTT (0.51) HTTNOTUMALDH1A1LMNAHTR6
SCHEMBL1904488 0.83 ALDH1A1 (0.63) NOTUMALDH1A1LMNAHTR6MEN1
SCHEMBL1901039 0.83 ALDH1A1 (0.63) NOTUMALDH1A1LMNAHTR6MEN1
SCHEMBL1901041 0.83 ALDH1A1 (0.63) NOTUMALDH1A1LMNAHTR6MEN1
SCHEMBL23328643 0.81 HTT (0.47) HTTALDH1A1LMNAHTR6PTPN11
SCHEMBL994308 0.77 HTT (0.80) HTTALDH1A1LMNAMEN1MAPT
SCHEMBL4805065 0.75 HTT (0.45) HTTNOTUMHTR6PTPN11GHSR
SCHEMBL4805051 0.75 HTT (0.45) HTTNOTUMHTR6PTPN11GHSR
SCHEMBL6367230 0.74 HTR3E (0.47) HTTNOTUMHTR6KMT2AGHSR
SCHEMBL6367231 0.74 HTR3E (0.47) HTTNOTUMHTR6KMT2AGHSR

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 2 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

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 HTT 364/4885NOTUM 1072/4885ALDH1A1 553/4885

“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.