SCHEMBL13600001

SCHEMBL13600001

CB(O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 1/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ HTT P42858 1/20 0.41
▸ RECQL P46063 1/20 0.41
▸ MAPT P10636 5/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ CES2 O00748 1/20 0.41
▸ CES1 P23141 1/20 0.41
▸ SIGMAR1 Q99720 1/20 0.40
▸ POLB P06746 4/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ KCNJ1 P48048 1/20 0.39

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
SCHEMBL3274096 0.81 HRH3 (0.55) EPHX2SMN1; SMN2HTTRECQLMAPT
SCHEMBL13600164 0.81 MAPT (0.43) SMN1; SMN2HTTMAPTALDH1A1POLB
SCHEMBL12893617 0.80 HRH3 (0.42) SMN1; SMN2MAPT
SCHEMBL9014017 0.80 ALDH1A1 (0.55) EPHX2MAPTALDH1A1POLBHPGD
SCHEMBL11044966 0.79 EPHX2 (0.54) EPHX2SMN1; SMN2MAPTALDH1A1CES2
SCHEMBL13600105 0.79 CCR5 (0.43) EPHX2SMN1; SMN2MAPTALDH1A1
SCHEMBL16532717 0.79 SIGMAR1 (0.45) EPHX2SMN1; SMN2HTTRECQLMAPT
SCHEMBL28297004 0.79 SIGMAR1 (0.45) EPHX2SMN1; SMN2HTTRECQLMAPT
SCHEMBL16822939 0.78 HRH3 (0.46) EPHX2SMN1; SMN2HTTRECQLPOLB
SCHEMBL16514016 0.78 SIGMAR1 (0.49) EPHX2SMN1; SMN2MAPTALDH1A1SIGMAR1

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 EPHX2 232/4885SMN1; SMN2 4330/4885HTT 979/4885

“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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