SCHEMBL13003281

SCHEMBL13003281

CB(O)Nc1cc(CN2CCC(C(=O)N3CCC(N(C(=O)c4c(F)cc(F)cc4F)c4ccc(Cl)cc4NC(=O)c4c(F)cc(F)cc4F)CC3)CC2)ccn1

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 3/20 0.39
▸ HRH3 Q9Y5N1 3/20 0.39
▸ ACKR3 P25106 2/20 0.39
▸ CYP3A4 P08684 3/20 0.36
▸ TBK1 Q9UHD2 2/20 0.35
▸ F10 P00742 2/20 0.35

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
SCHEMBL13003278 0.88 KCNH2 (0.52) KCNH2HRH3CYP3A4
SCHEMBL13060182 0.88 ACKR3 (0.39) KCNH2HRH3ACKR3CYP3A4TBK1
SCHEMBL13003280 0.86 ACKR3 (0.42) ACKR3CYP3A4TBK1F10
SCHEMBL13060181 0.74 ACKR3 (0.42) ACKR3CYP3A4TBK1F10
SCHEMBL13003631 0.74 KCNH2 (0.48) KCNH2HRH3CYP3A4F10
SCHEMBL13003277 0.74 CYP3A4 (0.49) KCNH2HRH3CYP3A4
SCHEMBL13003276 0.73 ACKR3 (0.44) ACKR3CYP3A4TBK1
SCHEMBL14091145 0.72 ACKR3 (0.49) ACKR3CYP3A4
SCHEMBL13003253 0.72 GSK3B (0.45) ACKR3TBK1
SCHEMBL13003284 0.72 ACKR3 (0.42) ACKR3CYP3A4TBK1

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 KCNH2 1142/4885HRH3 1/4885ACKR3 96/4885
US-20090286830-A1 HETEROATOM-LINKED SUBSTITUTED PIPERIDINES AND DERIVATIVES THEREOF USEFUL AS HISTAMINE H3 ANTAGONISTS HRH3, HRH4, CHRM2 KCNH2 1142/4885HRH3 1/4885ACKR3 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.

Send feedback