SCHEMBL13003424

SCHEMBL13003424

CCN(Cc1ccc(Cl)cc1)C(=O)NC1CCN(C(=O)C2CCNCC2)CC1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CCR1 P32246 2/20 0.45
▸ SMYD3 Q9H7B4 1/20 0.42
▸ DRD2 P14416 1/20 0.41
▸ DRD3 P35462 1/20 0.41
▸ EPHX2 P34913 1/20 0.41
▸ CCR5 P51681 1/20 0.41
▸ OPRM1 P35372 2/20 0.40
▸ OPRD1 P41143 2/20 0.40
▸ KDM5B Q9UGL1 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ MBTPS1 Q14703 1/20 0.39
▸ HTR2A P28223 1/20 0.39
▸ CNR1 P21554 1/20 0.39
▸ CNR2 P34972 1/20 0.39
▸ OPRK1 P41145 1/20 0.38
▸ TEAD1 P28347 1/20 0.38
▸ TSHR P16473 1/20 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
SCHEMBL13003423 0.87 CCR1 (0.47) CCR1DRD2DRD3OPRM1OPRD1
SCHEMBL13003426 0.83 CYP3A4 (0.52) NPSR1TEAD1
SCHEMBL13588404 0.78 EPHX1 (0.59) SMYD3EPHX2
SCHEMBL3324997 0.72 PTGES (0.45) DRD2NPSR1TSHR
SCHEMBL3325000 0.72 PTGES (0.45) DRD2NPSR1TSHR
SCHEMBL3325364 0.72 PTGES (0.45) DRD2NPSR1TSHR
SCHEMBL6011947 0.69 MAOB (0.50) NPSR1CNR1
SCHEMBL13391197 0.68 MGLL (0.65) —
SCHEMBL20766350 0.67 HTR2A (0.51) MBTPS1HTR2A
SCHEMBL14306242 0.67 CCR1 (0.74) CCR1NPSR1

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 CCR1 132/4885SMYD3 968/4885DRD2 367/4885
US-20090286830-A1 HETEROATOM-LINKED SUBSTITUTED PIPERIDINES AND DERIVATIVES THEREOF USEFUL AS HISTAMINE H3 ANTAGONISTS HRH3, HRH4, CHRM2 CCR1 132/4885SMYD3 968/4885DRD2 367/4885

“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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