SCHEMBL13003328

SCHEMBL13003328

CB(O)N1CCC(C(=O)N2CCC(OS(C)(=O)=O)CC2)CC1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 4/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ L3MBTL1 Q9Y468 2/20 0.40
▸ HTT P42858 1/20 0.40
▸ MAPT P10636 1/20 0.38
▸ ALDH1A1 P00352 9/20 0.38
▸ POLB P06746 1/20 0.38
▸ HPGD P15428 3/20 0.37
▸ RECQL P46063 1/20 0.35
▸ LMNA P02545 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ MAPK1 P28482 1/20 0.33

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
SCHEMBL6726841 0.87 HRH3 (0.33) —
SCHEMBL7361099 0.85 HPGD (0.47) TSHRSMN1; SMN2L3MBTL1HTTMAPT
SCHEMBL13003306 0.81 SMN1; SMN2 (0.42) TSHRSMN1; SMN2HTTMAPTALDH1A1
SCHEMBL13060395 0.77 HPGD (0.66) L3MBTL1HTTMAPTHPGDRECQL
SCHEMBL30562192 0.75 HPGD (0.61) TSHRSMN1; SMN2L3MBTL1HTTALDH1A1
SCHEMBL22518582 0.74 SMN1; SMN2 (0.46) TSHRSMN1; SMN2ALDH1A1LMNAKMT2A
SCHEMBL22518621 0.74 SMN1; SMN2 (0.46) TSHRSMN1; SMN2ALDH1A1LMNAKMT2A
SCHEMBL22518619 0.74 SMN1; SMN2 (0.46) TSHRSMN1; SMN2ALDH1A1LMNAKMT2A
SCHEMBL14456848 0.73 CHRNB2 (0.65) TSHRSMN1; SMN2HTTALDH1A1HPGD
SCHEMBL27039738 0.73 HPGD (0.50) TSHRSMN1; SMN2L3MBTL1HTTMAPT

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 TSHR 467/4885SMN1; SMN2 4688/4885L3MBTL1 741/4885
US-20090286830-A1 HETEROATOM-LINKED SUBSTITUTED PIPERIDINES AND DERIVATIVES THEREOF USEFUL AS HISTAMINE H3 ANTAGONISTS HRH3, HRH4, CHRM2 TSHR 467/4885SMN1; SMN2 4688/4885L3MBTL1 741/4885

“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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