SCHEMBL6735009

SCHEMBL6735009

CC(C)(C)OC(=O)N1CCC(Nc2ccccc2-c2ccc(Br)cc2)CC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.52
NPC1 O15118 1/20 0.51
MAPT P10636 1/20 0.51
MAPK1 P28482 1/20 0.51
HTT P42858 1/20 0.51
RAB9A P51151 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
PTPN2 P17706 1/20 0.48
PTPN1 P18031 1/20 0.48
PTPN6 P29350 1/20 0.48
GPR119 Q8TDV5 3/20 0.47
FPR2 P25090 3/20 0.47
FPR3 P25089 2/20 0.47
BRD4 O60885 1/20 0.47
CNR1 P21554 1/20 0.45
CNR2 P34972 1/20 0.45
KDM4E B2RXH2 1/20 0.45
PKM P14618 1/20 0.45
USP30 Q70CQ3 2/20 0.45
DYRK1A Q13627 1/20 0.44

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
SCHEMBL29933653 0.84 USP30 (0.59) ALDH1A1NPC1MAPTMAPK1HTT
SCHEMBL28834165 0.84 USP30 (0.59) ALDH1A1NPC1MAPTMAPK1HTT
SCHEMBL28834164 0.84 USP30 (0.59) ALDH1A1NPC1MAPTMAPK1HTT
SCHEMBL69769 0.84 ALDH1A1 (0.58) ALDH1A1NPC1MAPTMAPK1HTT
SCHEMBL2873727 0.81 ALDH1A1 (0.75) ALDH1A1NPC1MAPTMAPK1HTT
SCHEMBL2606333 0.80 ALDH1A1 (0.59) ALDH1A1NPC1MAPTMAPK1HTT
SCHEMBL70137 0.80 ALDH1A1 (0.59) ALDH1A1NPC1MAPTMAPK1HTT
SCHEMBL12069062 0.80 ALDH1A1 (0.59) ALDH1A1NPC1MAPTMAPK1HTT
SCHEMBL6249997 0.80 ALDH1A1 (0.56) ALDH1A1NPC1MAPTMAPK1HTT
SCHEMBL70179 0.79 ALDH1A1 (0.58) ALDH1A1NPC1MAPTMAPK1HTT

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040142920-A1 Bipiperidinyl-derivatives and their use as chemokine receptors inhibitors NOVARTIS 2004-07-22 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-20040142920-A1 Bipiperidinyl-derivatives and their use as chemokine receptors inhibitors CCR5, CCR2, CXCR3 ALDH1A1 1912/4885NPC1 921/4885MAPT 4123/4885

“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.