SCHEMBL13060208

SCHEMBL13060208

CC(=O)NCC(=O)Nc1cc(Cl)ccc1NC1CCN(C(=O)C2CCN(Cc3ccnc(NC(=O)OC(C)(C)C)c3)CC2)CC1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ACKR3 P25106 1/20 0.42
▸ CCR2 P41597 2/20 0.40
▸ CCR1 P32246 1/20 0.38
▸ NOS1 P29475 1/20 0.37
▸ NOS2 P35228 1/20 0.37
▸ TBK1 Q9UHD2 6/20 0.37
▸ ABCB11 O95342 1/20 0.36
▸ FNTA P49354 1/20 0.36
▸ FNTB P49356 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
SCHEMBL13003284 0.87 ACKR3 (0.42) ACKR3NOS1NOS2TBK1
SCHEMBL13060200 0.87 ACKR3 (0.45) ACKR3CCR2NOS1NOS2TBK1
SCHEMBL13003282 0.86 CYP3A4 (0.44) —
SCHEMBL13060181 0.85 ACKR3 (0.42) ACKR3CCR2TBK1
SCHEMBL13060205 0.84 MAPK1 (0.43) ACKR3CCR2NOS1NOS2TBK1
SCHEMBL13060396 0.79 ACKR3 (0.45) ACKR3TBK1
SCHEMBL13391112 0.79 ACKR3 (0.49) ACKR3TBK1
SCHEMBL8230506 0.78 TBK1 (0.42) TBK1
SCHEMBL13003632 0.78 CYP3A4 (0.48) —
SCHEMBL13060206 0.78 POLB (0.42) ACKR3TBK1

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 5 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
WO-2007001975-A1 PIPERIDINE DERIVATIVES USEFUL AS HISTAMINE H3 ANTAGONISTS SCHERING CORPORATION (US) 2007-01-04 — — WO 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 96/4885CCR2 119/4885CCR1 132/4885
US-20090286830-A1 HETEROATOM-LINKED SUBSTITUTED PIPERIDINES AND DERIVATIVES THEREOF USEFUL AS HISTAMINE H3 ANTAGONISTS HRH3, HRH4, CHRM2 ACKR3 96/4885CCR2 119/4885CCR1 132/4885

“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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