SCHEMBL13060205

SCHEMBL13060205

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 5/20 0.43
▸ MAPT P10636 3/20 0.43
▸ ACKR3 P25106 2/20 0.43
▸ PKM P14618 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ BCL2 P10415 2/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ CCR2 P41597 1/20 0.40
▸ ACHE P22303 2/20 0.40
▸ FAAH O00519 1/20 0.40
▸ BCHE P06276 1/20 0.40
▸ ALDH1A1 P00352 2/20 0.39
▸ HTT P42858 1/20 0.39
▸ NOS1 P29475 1/20 0.39
▸ NOS2 P35228 1/20 0.39
▸ PHGDH O43175 1/20 0.39
▸ GSK3B P49841 1/20 0.38
▸ TBK1 Q9UHD2 2/20 0.38

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
SCHEMBL13060206 0.92 POLB (0.42) MAPK1MAPTACKR3PKMRAB9A
SCHEMBL13060200 0.89 ACKR3 (0.45) ACKR3CCR2NOS1NOS2TBK1
SCHEMBL13003272 0.86 MAPK1 (0.47) MAPK1MAPTACKR3PKMRAB9A
SCHEMBL13060208 0.84 ACKR3 (0.42) ACKR3CCR2NOS1NOS2TBK1
SCHEMBL13003268 0.84 MAPK1 (0.49) MAPK1MAPTPKMRAB9ANPSR1
SCHEMBL13060181 0.83 ACKR3 (0.42) ACKR3CCR2TBK1LMNA
SCHEMBL13391112 0.81 ACKR3 (0.49) MAPTACKR3NPSR1ACHEALDH1A1
SCHEMBL13060396 0.81 ACKR3 (0.45) ACKR3GSK3BTBK1
SCHEMBL8230506 0.80 TBK1 (0.42) MAPK1MAPTALDH1A1HTTTBK1
SCHEMBL13391102 0.79 ACKR3 (0.51) ACKR3ACHEGSK3B

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 MAPK1 2566/4885MAPT 3625/4885ACKR3 96/4885
US-20090286830-A1 HETEROATOM-LINKED SUBSTITUTED PIPERIDINES AND DERIVATIVES THEREOF USEFUL AS HISTAMINE H3 ANTAGONISTS HRH3, HRH4, CHRM2 MAPK1 2566/4885MAPT 3625/4885ACKR3 96/4885

“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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