SCHEMBL4935776

SCHEMBL4935776

Fc1cc(CN2CCC(c3ccccc3)CC2)ccc1N1CCC(CN2CCCC2)CC1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
DRD2 P14416 2/20 0.44
DRD4 P21917 2/20 0.44
CCR5 P51681 2/20 0.44
ALDH1A1 P00352 1/20 0.43
HTT P42858 1/20 0.43
CHRM4 P08173 3/20 0.42
GRM2 Q14416 1/20 0.42
PARP1 P09874 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41
SLC18A3 Q16572 2/20 0.41
SIGMAR1 Q99720 1/20 0.41

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
SCHEMBL4939123 0.88 ALDH1A1 (0.56) ALDH1A1HTTPARP1HRH3
SCHEMBL10263957 0.78 MAPT (0.42) MEN1KMT2AALDH1A1HTT
SCHEMBL4938232 0.75 PARP1 (0.43) ALDH1A1HTTPARP1HRH3
SCHEMBL4941322 0.74 PARP1 (0.43) MEN1KMT2ADRD2DRD4ALDH1A1
SCHEMBL14282077 0.73 HRH3 (0.44) ALDH1A1HTTPARP1HRH3
SCHEMBL28169784 0.73 CCR3 (0.67) MEN1KMT2ADRD2DRD4ALDH1A1
SCHEMBL15759211 0.73 THRB (0.47) ALDH1A1
SCHEMBL4933545 0.73 ALDH1A1 (0.46) ALDH1A1HTTPARP1HRH3
SCHEMBL5795208 0.72 SLC18A3 (0.57) MEN1KMT2ADRD2DRD4CCR5
SCHEMBL10268327 0.71 SLC18A3 (0.61) MEN1KMT2ADRD2CCR5SLC18A3

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
US-20040087573-A1 Phenylpiperidines and phenylpyrrolidines JANSSEN PHARMACEUTICA N.V. (BE) 2004-05-06 US disclosed
WO-2004037257-A1 PHENYLPIPERIDINES AND PHENYLPYRROLIDINES AS HISTAMINE H3 RECEPTOR MODULATORS JANSSEN PHARMACEUTICA, N.V. (BE) 2004-05-06 WO 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 MEN1 3148/4885KMT2A 2582/4885DRD2 592/4885
US-20080004314-A1 Phenylpiperidines and Phenylpyrrolidines HRH2, HNMT, HRH3 MEN1 3148/4885KMT2A 2582/4885DRD2 592/4885

“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.