SCHEMBL4938700

SCHEMBL4938700

c1cc(N2CCC3(CC2)OCCO3)ccc1CN1CCOCC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 5/20 0.56
LGMN Q99538 1/20 0.53
SMN1; SMN2 Q16637 3/20 0.49
NOS3 P29474 1/20 0.47
NOS1 P29475 1/20 0.47
NOS2 P35228 1/20 0.47
MAPT P10636 2/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
KCNJ1 P48048 1/20 0.46
L3MBTL3 Q96JM7 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
TMEM97 Q5BJF2 2/20 0.44
SIGMAR1 Q99720 2/20 0.44
ADRA2A P08913 1/20 0.44
ADRA2B P18089 1/20 0.44
ADRA2C P18825 1/20 0.44
HIF1A Q16665 2/20 0.43
EPAS1 Q99814 2/20 0.43
DDB1 Q16531 1/20 0.43

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
SCHEMBL6074426 0.80 LGMN (0.50) HRH3LGMNSMN1; SMN2MAPTALDH1A1
SCHEMBL6680323 0.80 LGMN (0.54) HRH3LGMNSMN1; SMN2MAPTALDH1A1
SCHEMBL15467001 0.78 HRH3 (0.87) HRH3SMN1; SMN2NOS3NOS1NOS2
SCHEMBL5546662 0.77 POLB (0.55) LGMNSMN1; SMN2MAPTALDH1A1LMNA
SCHEMBL3780476 0.76 HRH3 (0.56) HRH3MAPTALDH1A1TMEM97SIGMAR1
SCHEMBL2270689 0.76 HRH3 (0.61) HRH3SMN1; SMN2NOS3NOS1NOS2
SCHEMBL1647718 0.76 HRH3 (0.61) HRH3SMN1; SMN2NOS3NOS1NOS2
SCHEMBL8739456 0.76 HRH3 (0.56) HRH3ALDH1A1LMNAL3MBTL1TMEM97
SCHEMBL6073828 0.76 LGMN (0.47) LGMNSMN1; SMN2MAPTALDH1A1LMNA
SCHEMBL11686136 0.76 SIGMAR1 (0.68) HRH3ALDH1A1TMEM97SIGMAR1HIF1A

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-20080004314-A1 Phenylpiperidines and Phenylpyrrolidines APODACA RICHARD L 2008-01-03 US disclosed
US-20080004314-A1 Phenylpiperidines and Phenylpyrrolidines APODACA RICHARD L 2008-01-03 US disclosed
US-20080004314-A1 Phenylpiperidines and Phenylpyrrolidines APODACA RICHARD L 2008-01-03 US disclosed
US-7279491-B2 Phenylpiperidines and phenylpyrrolidines JANSSEN PHARMACEUTICA N.V. (BE) 2007-10-09 US disclosed
US-7279491-B2 Phenylpiperidines and phenylpyrrolidines JANSSEN PHARMACEUTICA N.V. (BE) 2007-10-09 US disclosed
US-7279491-B2 Phenylpiperidines and phenylpyrrolidines JANSSEN PHARMACEUTICA N.V. (BE) 2007-10-09 US disclosed
EP-1556046-A1 PHENYLPIPERIDINES AND PHENYLPYRROLIDINES AS HISTAMINE H3 RECEPTOR MODULATORS Janssen Pharmaceutica N.V. (BE) 2005-07-27 EP disclosed
WO-2004037257-A1 PHENYLPIPERIDINES AND PHENYLPYRROLIDINES AS HISTAMINE H3 RECEPTOR MODULATORS JANSSEN PHARMACEUTICA, N.V. (BE) 2004-05-06 WO disclosed
US-20040087573-A1 Phenylpiperidines and phenylpyrrolidines JANSSEN PHARMACEUTICA N.V. (BE) 2004-05-06 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-20040087573-A1 Phenylpiperidines and phenylpyrrolidines HRH2, HNMT, HRH3 HRH3 3/4885LGMN 3326/4885SMN1; SMN2 1564/4885
US-20080004314-A1 Phenylpiperidines and Phenylpyrrolidines HRH2, HNMT, HRH3 HRH3 3/4885LGMN 3326/4885SMN1; SMN2 1564/4885

“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.