SCHEMBL4938239

SCHEMBL4938239

CN(C)C(c1ccc(CN2CCCC2)cc1)C1CCNCC1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 7/20 0.49
HRH3 Q9Y5N1 8/20 0.46
ALDH1A1 P00352 3/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
CHRM2 P08172 1/20 0.46
CHRM1 P11229 1/20 0.46
ADRA2C P18825 1/20 0.46
CCR2 P41597 1/20 0.46
CXCL12 P48061 1/20 0.46
BLM P54132 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
NCF1 P14598 1/20 0.43
HRH4 Q9H3N8 1/20 0.41
KDM4E B2RXH2 2/20 0.40
GFER P55789 1/20 0.40

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
SCHEMBL4937881 0.87 CXCR4 (0.47) CXCR4HRH3ALDH1A1MEN1KMT2A
SCHEMBL5493242 0.77 CXCR4 (0.50) CXCR4HRH3ALDH1A1MEN1KMT2A
SCHEMBL5495347 0.77 CXCR4 (0.50) CXCR4HRH3ALDH1A1MEN1KMT2A
SCHEMBL5493369 0.77 CXCR4 (0.50) CXCR4HRH3ALDH1A1MEN1KMT2A
SCHEMBL4941263 0.76 CXCR4 (0.46) CXCR4HRH3MEN1KMT2ACHRM2
SCHEMBL5487372 0.76 HRH3 (0.48) CXCR4HRH3MEN1KMT2ACHRM2
SCHEMBL5496792 0.75 HRH3 (0.50) CXCR4HRH3MEN1KMT2ACHRM2
SCHEMBL493239 0.74 OPRD1 (0.45)
SCHEMBL24529011 0.73 HRH3 (0.50) HRH3
SCHEMBL4941816 0.73 HRH3 (0.48) CXCR4HRH3ALDH1A1MEN1KMT2A

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 claimed
EP-1556046-A1 PHENYLPIPERIDINES AND PHENYLPYRROLIDINES AS HISTAMINE H3 RECEPTOR MODULATORS Janssen Pharmaceutica N.V. (BE) 2005-07-27 EP claimed
WO-2004037257-A1 PHENYLPIPERIDINES AND PHENYLPYRROLIDINES AS HISTAMINE H3 RECEPTOR MODULATORS JANSSEN PHARMACEUTICA, N.V. (BE) 2004-05-06 WO claimed
US-20040087573-A1 Phenylpiperidines and phenylpyrrolidines JANSSEN PHARMACEUTICA N.V. (BE) 2004-05-06 US claimed
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
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 CXCR4 2455/4885HRH3 3/4885ALDH1A1 719/4885
US-20080004314-A1 Phenylpiperidines and Phenylpyrrolidines HRH2, HNMT, HRH3 CXCR4 2455/4885HRH3 3/4885ALDH1A1 719/4885

“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.