SCHEMBL4935654

SCHEMBL4935654

FC(F)(F)c1cc(N2CCC(CN3CCCC3)CC2)ccc1CN1CCCCC1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FAAH O00519 3/20 0.47
MGLL Q99685 1/20 0.42
NR1H2 P55055 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
GAA P10253 1/20 0.40
OPRM1 P35372 1/20 0.40
OPRD1 P41143 1/20 0.40
OPRK1 P41145 1/20 0.40
OPRL1 P41146 1/20 0.40
TRPV1 Q8NER1 1/20 0.39
KDM4E B2RXH2 4/20 0.39
ALDH1A1 P00352 2/20 0.39
POLB P06746 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
L3MBTL3 Q96JM7 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CHRM4 P08173 1/20 0.38

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
SCHEMBL14282078 0.91 FAAH (0.43) FAAHMGLLNR1H2L3MBTL3
SCHEMBL4938440 0.88 FAAH (0.41) FAAHMGLLNPSR1GAAKDM4E
Trifluoromethanesulfonic Acid SCHEMBL4939925 0.85 FAAH (0.43) FAAHMGLL
SCHEMBL6204624 0.82 NPSR1 (0.40) NPSR1GAAOPRM1OPRD1OPRK1
SCHEMBL4938511 0.80 ALDH1A1 (0.40) NPSR1GAAOPRM1OPRD1OPRK1
SCHEMBL4933545 0.76 ALDH1A1 (0.46) GAAOPRM1OPRD1OPRK1OPRL1
SCHEMBL24191963 0.75 NR1H2 (0.66) NR1H2NPSR1GAAOPRM1OPRD1
SCHEMBL4937869 0.74 L3MBTL3 (0.66) KDM4EALDH1A1L3MBTL3L3MBTL1
SCHEMBL4936788 0.74 L3MBTL3 (0.66) KDM4EALDH1A1L3MBTL3L3MBTL1
SCHEMBL4941296 0.74 L3MBTL3 (0.66) KDM4EALDH1A1L3MBTL3L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7279491-B2 Phenylpiperidines and phenylpyrrolidines JANSSEN PHARMACEUTICA N.V. (BE) 2007-10-09 US claimed
EP-1556046-A1 PHENYLPIPERIDINES AND PHENYLPYRROLIDINES AS HISTAMINE H3 RECEPTOR MODULATORS Janssen Pharmaceutica N.V. (BE) 2005-07-27 EP claimed
US-20040087573-A1 Phenylpiperidines and phenylpyrrolidines JANSSEN PHARMACEUTICA N.V. (BE) 2004-05-06 US claimed
WO-2004037257-A1 PHENYLPIPERIDINES AND PHENYLPYRROLIDINES AS HISTAMINE H3 RECEPTOR MODULATORS JANSSEN PHARMACEUTICA, N.V. (BE) 2004-05-06 WO claimed
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 FAAH 392/4885MGLL 2114/4885NR1H2 404/4885
US-20080004314-A1 Phenylpiperidines and Phenylpyrrolidines HRH2, HNMT, HRH3 FAAH 392/4885MGLL 2114/4885NR1H2 404/4885

“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.