SCHEMBL13003253

SCHEMBL13003253

CB(O)Nc1cc(CN2CCC(C(=O)N3CCC(Oc4cc(Cl)cc(Cl)c4)CC3)CC2)ccn1

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 1/20 0.45
▸ TBK1 Q9UHD2 11/20 0.43
▸ ACKR3 P25106 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.41
▸ POLB P06746 1/20 0.41

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
SCHEMBL13060396 0.84 ACKR3 (0.45) GSK3BTBK1ACKR3
SCHEMBL13003251 0.83 CYP3A4 (0.53) —
SCHEMBL14091145 0.82 ACKR3 (0.49) ACKR3
SCHEMBL13003276 0.81 ACKR3 (0.44) TBK1ACKR3
SCHEMBL13003311 0.81 TBK1 (0.41) TBK1KDM4EPOLB
SCHEMBL13605230 0.81 TBK1 (0.40) TBK1
SCHEMBL14091142 0.80 ACKR3 (0.44) TBK1ACKR3KDM4E
SCHEMBL14469631 0.80 HRH1 (0.49) GSK3BTBK1KDM4E
SCHEMBL13319053 0.80 ALDH1A1 (0.54) TBK1POLB
SCHEMBL13003272 0.79 MAPK1 (0.47) GSK3BTBK1ACKR3POLB

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 GSK3B 4567/4885TBK1 4090/4885ACKR3 96/4885
US-20090286830-A1 HETEROATOM-LINKED SUBSTITUTED PIPERIDINES AND DERIVATIVES THEREOF USEFUL AS HISTAMINE H3 ANTAGONISTS HRH3, HRH4, CHRM2 GSK3B 4567/4885TBK1 4090/4885ACKR3 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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