SCHEMBL13003329

SCHEMBL13003329

CB(O)N1CCC(C(=O)N2CCC(Sc3ccccc3)CC2)CC1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 5/20 0.44
▸ MEN1 O00255 2/20 0.41
▸ TSHR P16473 2/20 0.41
▸ HPGD P15428 2/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ ALDH1A1 P00352 9/20 0.41
▸ CARM1 Q86X55 1/20 0.40
▸ PRMT6 Q96LA8 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ RXRA P19793 1/20 0.40
▸ RXRB P28702 1/20 0.40
▸ RXRG P48443 1/20 0.40
▸ KDM4E B2RXH2 2/20 0.40
▸ USP2 O75604 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ HSD17B10 Q99714 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
SCHEMBL13060401 0.79 HPGD (0.60) KMT2AMEN1HPGDRXRARXRB
SCHEMBL13003332 0.77 NPC1 (0.49) KMT2ASMN1; SMN2ALDH1A1L3MBTL1NPC1
SCHEMBL3125608 0.75 CARM1 (0.49) KMT2ASMN1; SMN2ALDH1A1CARM1PRMT6
SCHEMBL13003306 0.73 SMN1; SMN2 (0.42) TSHRHPGDSMN1; SMN2ALDH1A1
SCHEMBL4440476 0.72 BLM (0.53) KMT2AMEN1HPGDSMN1; SMN2ALDH1A1
SCHEMBL3128872 0.69 GPR119 (0.61) KMT2AMEN1SMN1; SMN2KDM4E
SCHEMBL14456848 0.69 CHRNB2 (0.65) KMT2ATSHRHPGDSMN1; SMN2ALDH1A1
SCHEMBL4773959 0.69 KDM1A (0.53) KMT2ASMN1; SMN2ALDH1A1CARM1PRMT6
SCHEMBL13003326 0.69 CYP3A4 (0.55) KMT2AMEN1TSHR
SCHEMBL4864451 0.66 CARM1 (0.61) KMT2AMEN1SMN1; SMN2CARM1PRMT6

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 KMT2A 607/4885MEN1 1402/4885TSHR 467/4885
US-20090286830-A1 HETEROATOM-LINKED SUBSTITUTED PIPERIDINES AND DERIVATIVES THEREOF USEFUL AS HISTAMINE H3 ANTAGONISTS HRH3, HRH4, CHRM2 KMT2A 607/4885MEN1 1402/4885TSHR 467/4885

“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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