SCHEMBL13060206

SCHEMBL13060206

CC(C)(C)OC(=O)Nc1cc(CN2CCC(C(=O)N3CCC(Nc4ccc(Br)cc4[N+](=O)[O-])CC3)CC2)ccn1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.42
▸ MAPK1 P28482 6/20 0.41
▸ MAPT P10636 4/20 0.41
▸ PKM P14618 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ BCL2 P10415 1/20 0.39
▸ ALDH1A1 P00352 3/20 0.37
▸ HTT P42858 1/20 0.37
▸ ACKR3 P25106 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ TBK1 Q9UHD2 4/20 0.37
▸ LMNA P02545 2/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL13060205 0.92 MAPK1 (0.43) MAPK1MAPTPKMRAB9ANPSR1
SCHEMBL13003288 0.86 MAPK1 (0.46) POLBMAPK1MAPTPKMRAB9A
SCHEMBL13003644 0.84 POLB (0.48) POLBMAPK1MAPTPKMRAB9A
SCHEMBL13060200 0.81 ACKR3 (0.45) ACKR3TBK1
SCHEMBL8230506 0.80 TBK1 (0.42) MAPK1MAPTALDH1A1HTTTBK1
SCHEMBL12533226 0.79 ACKR3 (0.43) POLBACKR3KDM4ETBK1
SCHEMBL12533228 0.78 ACKR3 (0.42) POLBACKR3KDM4ETBK1
SCHEMBL13060208 0.78 ACKR3 (0.42) ACKR3TBK1
SCHEMBL14095127 0.77 MAPK1 (0.55) MAPK1MAPTPKMRAB9ANPSR1
SCHEMBL13003272 0.77 MAPK1 (0.47) POLBMAPK1MAPTPKMRAB9A

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-7846946-B2 Heteroatom-linked substituted piperidines and derivatives thereof useful as histamine H3 antagonists SCHERING PLOUGH CORPORATION (US) 2010-12-07 — — US disclosed
US-7635705-B2 treating allergy-induced airway responses, congestion, obesity, metabolic syndrome, alcoholic fatty liver disease, hepatic steatosis, nonalcoholic steatohepatitis, cirrhosis, hepatacellular carcinoma and cognition deficit disorders; histamine H3 antagonists SCHERING CORPORATION (US) 2009-12-22 — — US disclosed
US-20090286830-A1 HETEROATOM-LINKED SUBSTITUTED PIPERIDINES AND DERIVATIVES THEREOF USEFUL AS HISTAMINE H3 ANTAGONISTS SCHERING CORPORATION 2009-11-19 — — US disclosed
US-20070015807-A1 Heteroatom-linked substituted piperidines and derivatives thereof useful as histamine H3 antagonists SCHERING CORPORATION 2007-01-18 — — 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 (2 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-20070015807-A1 Heteroatom-linked substituted piperidines and derivatives thereof useful as histamine H3 antagonists HRH3, HRH4, CHRM2 POLB 4430/4885MAPK1 2566/4885MAPT 3625/4885
US-20090286830-A1 HETEROATOM-LINKED SUBSTITUTED PIPERIDINES AND DERIVATIVES THEREOF USEFUL AS HISTAMINE H3 ANTAGONISTS HRH3, HRH4, CHRM2 POLB 4430/4885MAPK1 2566/4885MAPT 3625/4885

“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.

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