SCHEMBL3497168

SCHEMBL3497168

O=C(c1coc(-c2ccc(CO)cc2)n1)N1CCCC1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 11/20 0.43
NPC1 O15118 4/20 0.41
RAB9A P51151 4/20 0.41
POLB P06746 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
EIF4A3 P38919 1/20 0.41
CHRM2 P08172 1/20 0.41
ALDH1A1 P00352 1/20 0.40
GNE Q9Y223 1/20 0.40
TSHR P16473 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
SCHEMBL3497033 0.88 PDE4B (0.44) PDE4BNPC1RAB9APOLBHDAC1
SCHEMBL6397963 0.84 HRH3 (0.42) PDE4BNPC1RAB9AHDAC1HDAC8
SCHEMBL3496201 0.80 SCD5 (0.44) PDE4BNPC1RAB9AALDH1A1TSHR
SCHEMBL3497206 0.80 SCD5 (0.44) PDE4BNPC1RAB9AALDH1A1TSHR
SCHEMBL3498555 0.79 HRH3 (0.49) PDE4BPOLBHDAC1HDAC8HDAC6
SCHEMBL6390671 0.79 KMT2A (0.54) NPC1RAB9AHDAC1HDAC8HDAC6
SCHEMBL3496504 0.79 PTPN1 (0.57) PDE4BHDAC1HDAC8HDAC6ALDH1A1
SCHEMBL3083774 0.78 HRH3 (0.48) PDE4BNPC1RAB9AHDAC1HDAC8
SCHEMBL6394374 0.78 TSHR (0.53) NPC1RAB9ACHRM2ALDH1A1TSHR
SCHEMBL6396250 0.78 TSHR (0.53) NPC1RAB9ACHRM2ALDH1A1TSHR

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7803825-B2 Aminoalkylazole derivatives as histamine-3 antagonists WYETH LLC (US) 2010-09-28 US disclosed
US-7803825-B2 Aminoalkylazole derivatives as histamine-3 antagonists WYETH LLC (US) 2010-09-28 US disclosed
US-7803825-B2 Aminoalkylazole derivatives as histamine-3 antagonists WYETH LLC (US) 2010-09-28 US disclosed
EP-2170875-A1 AMINOALKYLAZOLE DERIVATIVES AS HISTAMINE-3 ANTAGONISTS Wyeth LLC (US) 2010-04-07 EP disclosed
WO-2009012252-A1 AMINOALKYLAZOLE DERIVATIVES AS HISTAMINE-3 ANTAGONISTS WYETH (US) 2009-01-22 WO disclosed
US-20090023707-A1 AMINOALKYLAZOLE DERIVATIVES AS HISTAMINE-3 ANTAGONISTS WYETH (US) 2009-01-22 US disclosed
US-20090023707-A1 AMINOALKYLAZOLE DERIVATIVES AS HISTAMINE-3 ANTAGONISTS WYETH (US) 2009-01-22 US disclosed
WO-2009012252-A1 AMINOALKYLAZOLE DERIVATIVES AS HISTAMINE-3 ANTAGONISTS WYETH (US) 2009-01-22 WO disclosed
US-20090023707-A1 AMINOALKYLAZOLE DERIVATIVES AS HISTAMINE-3 ANTAGONISTS WYETH (US) 2009-01-22 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 (1 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-20090023707-A1 AMINOALKYLAZOLE DERIVATIVES AS HISTAMINE-3 ANTAGONISTS HRH4, HRH3, HRH2 PDE4B 1489/4885NPC1 1234/4885RAB9A 1396/4885

“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.