SCHEMBL13003372

SCHEMBL13003372

CN(Cc1c(F)cccc1F)C1CCN(C(=O)C2CCN(Cc3ccnnc3)CC2)CC1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 1/20 0.44
▸ KDM4E B2RXH2 6/20 0.43
▸ KCNH2 Q12809 2/20 0.43
▸ HRH3 Q9Y5N1 2/20 0.43
▸ TSHR P16473 2/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ CYP2D6 P10635 2/20 0.42
▸ ALDH1A1 P00352 2/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ POLB P06746 2/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ GAA P10253 1/20 0.40
▸ ALOX15 P16050 1/20 0.40

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
SCHEMBL8231191 0.86 CYP3A4 (0.53) CYP3A4
SCHEMBL13003867 0.85 KCNH2 (0.46) CYP3A4KCNH2HRH3ALDH1A1TDP1
SCHEMBL13003804 0.81 KCNH2 (0.45) CYP3A4KCNH2HRH3TSHRMEN1
SCHEMBL8225133 0.81 KDM4E (0.44) CYP3A4KDM4ETSHRMEN1KMT2A
SCHEMBL13003727 0.77 KDM4E (0.44) CYP3A4KDM4ETSHRMEN1KMT2A
SCHEMBL13003367 0.76 HRH3 (0.44) CYP3A4KCNH2HRH3CYP2D6
SCHEMBL14258893 0.75 CYP3A4 (0.49) CYP3A4CYP2D6
SCHEMBL14469503 0.74 ALDH1A1 (0.40) KDM4ETSHRMEN1KMT2AALDH1A1
SCHEMBL13591272 0.74 MEN1 (0.57) CYP3A4TSHRMEN1KMT2ACYP2D6
SCHEMBL13003810 0.74 BCHE (0.46) CYP3A4KCNH2HRH3TSHRMEN1

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 8 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-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-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-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
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 CYP3A4 1177/4885KDM4E 3109/4885KCNH2 1142/4885
US-20090286830-A1 HETEROATOM-LINKED SUBSTITUTED PIPERIDINES AND DERIVATIVES THEREOF USEFUL AS HISTAMINE H3 ANTAGONISTS HRH3, HRH4, CHRM2 CYP3A4 1177/4885KDM4E 3109/4885KCNH2 1142/4885

“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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