SCHEMBL13600175

SCHEMBL13600175

CB(O)N1CCC(Oc2ccc(Nc3ncccc3[N+](=O)[O-])cn2)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.44
▸ NPC1 O15118 2/20 0.44
▸ RAB9A P51151 2/20 0.44
▸ NFKB1 P19838 1/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ NFKB2 Q00653 1/20 0.44
▸ RELA Q04206 1/20 0.44
▸ GABRP O00591 1/20 0.44
▸ GABRD O14764 1/20 0.44
▸ GABRA1 P14867 1/20 0.44
▸ GABRB1 P18505 1/20 0.44
▸ GABRG2 P18507 1/20 0.44
▸ GABRB3 P28472 1/20 0.44
▸ GABRA5 P31644 1/20 0.44
▸ GABRA3 P34903 1/20 0.44
▸ GABRA2 P47869 1/20 0.44
▸ GABRB2 P47870 1/20 0.44
▸ GABRA4 P48169 1/20 0.44
▸ GABRE P78334 1/20 0.44
▸ GABRA6 Q16445 1/20 0.44

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
SCHEMBL13600004 0.89 MAPT (0.49) MAPTNPC1RAB9ANFKB1MAPK1
SCHEMBL13600174 0.84 NAMPT (0.40) NAMPTCLK2CLK3DYRK1A
SCHEMBL13600045 0.83 GABRP (0.43) MAPTNPC1RAB9ANFKB1MAPK1
SCHEMBL13607168 0.82 GPR119 (0.52) MAPTNPC1RAB9ANFKB1MAPK1
SCHEMBL13600169 0.80 CA1 (0.44) NAMPT
SCHEMBL13600164 0.77 MAPT (0.43) MAPTMAPK1MEN1KMT2AL3MBTL1
SCHEMBL12124649 0.76 SMN1; SMN2 (0.41) MAPTNPC1RAB9ANFKB1MAPK1
SCHEMBL13600023 0.76 MAPK1 (0.48) MAPTMAPK1GABRPGABRDGABRA1
SCHEMBL6347219 0.76 MEN1 (0.62) MAPTNPC1RAB9ANFKB1MAPK1
SCHEMBL13600168 0.74 NAMPT (0.38) NAMPTDYRK1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7638531-B2 Phenoxypiperidines and analogs thereof useful as histamine H3 antagonists SCHERING CORPORATION (US) 2009-12-29 — — US disclosed
US-20070167435-A1 Phenoxypiperidines and analogs thereof useful as histamine H3 antagonists SCHERING CORPORATION 2007-07-19 — — 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-20070167435-A1 Phenoxypiperidines and analogs thereof useful as histamine H3 antagonists HRH4, HRH3, HRH2 MAPT 2125/4885NPC1 1270/4885RAB9A 3116/4885

“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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