SCHEMBL13003276

SCHEMBL13003276

CB(O)Nc1cc(CN2CCC(C(=O)N3CCC(Nc4ccc(Cl)cc4N)CC3)CC2)ccn1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ACKR3 P25106 1/20 0.44
▸ TBK1 Q9UHD2 4/20 0.42
▸ CYP3A4 P08684 3/20 0.41
▸ CYP2D6 P10635 2/20 0.41
▸ NOS1 P29475 1/20 0.41
▸ NOS2 P35228 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ SMN1; SMN2 Q16637 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
SCHEMBL13319050 0.89 CYP3A4 (0.43) TBK1CYP3A4MAPK1
SCHEMBL13003272 0.88 MAPK1 (0.47) ACKR3TBK1NOS1NOS2MEN1
SCHEMBL13003274 0.87 CYP3A4 (0.51) CYP3A4
SCHEMBL13003284 0.85 ACKR3 (0.42) ACKR3TBK1CYP3A4CYP2D6NOS1
SCHEMBL13060200 0.85 ACKR3 (0.45) ACKR3TBK1CYP3A4CYP2D6NOS1
SCHEMBL13003280 0.84 ACKR3 (0.42) ACKR3TBK1CYP3A4
SCHEMBL13003253 0.81 GSK3B (0.45) ACKR3TBK1
SCHEMBL13003288 0.80 MAPK1 (0.46) TBK1MEN1MAPK1KMT2A
SCHEMBL14091145 0.80 ACKR3 (0.49) ACKR3CYP3A4CYP2D6
SCHEMBL14091142 0.79 ACKR3 (0.44) ACKR3TBK1CYP3A4CYP2D6SMN1; SMN2

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 ACKR3 96/4885TBK1 4090/4885CYP3A4 1177/4885
US-20090286830-A1 HETEROATOM-LINKED SUBSTITUTED PIPERIDINES AND DERIVATIVES THEREOF USEFUL AS HISTAMINE H3 ANTAGONISTS HRH3, HRH4, CHRM2 ACKR3 96/4885TBK1 4090/4885CYP3A4 1177/4885

“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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