SCHEMBL13600039

SCHEMBL13600039

CB(O)N1CCC(Oc2c(F)cc([N+](=O)[O-])cc2F)CC1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ FPR2 P25090 1/20 0.34
▸ PROKR1 Q8TCW9 1/20 0.34
▸ MAPT P10636 7/20 0.33
▸ ALDH1A1 P00352 6/20 0.33
▸ LMNA P02545 3/20 0.33
▸ HTR1A P08908 1/20 0.32
▸ THRB P10828 1/20 0.32
▸ HTR2A P28223 1/20 0.32
▸ HTR2C P28335 1/20 0.32
▸ GPR174 Q9BXC1 2/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ SCD O00767 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ CYP2C9 P11712 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31

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
SCHEMBL38659125 0.81 KMT2A (0.41) KMT2AMEN1MAPTALDH1A1LMNA
SCHEMBL13600044 0.80 FPR2 (0.34) FPR2PROKR1HTR2AHTR2C
SCHEMBL13600001 0.78 EPHX2 (0.43) KMT2AMEN1MAPTALDH1A1L3MBTL1
SCHEMBL5970615 0.76 GPR119 (0.52) MAPTALDH1A1LMNATHRB
SCHEMBL13600045 0.76 GABRP (0.43) KMT2AMEN1MAPTALDH1A1LMNA
SCHEMBL13600164 0.73 MAPT (0.43) KMT2AMEN1MAPTALDH1A1LMNA
SCHEMBL30721984 0.71 SLC6A2 (0.37) KMT2AMEN1MAPTALDH1A1LMNA
SCHEMBL10254959 0.70 KDM4E (0.45) KMT2AMEN1FPR2PROKR1MAPT
SCHEMBL18372268 0.69 ALDH1A1 (0.63) KMT2AMEN1MAPTALDH1A1LMNA
SCHEMBL13600013 0.68 ALDH3A1 (0.43) KMT2AMEN1MAPTALDH1A1LMNA

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 KMT2A 1324/4885MEN1 3211/4885FPR2 505/4885

“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.

Send feedback