SCHEMBL4933545

SCHEMBL4933545

FC(F)(F)c1cc(CN2CCCCC2)ccc1N1CCC(CN2CCCC2)CC1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
KDM4E B2RXH2 2/20 0.46
GAA P10253 2/20 0.45
CYP2C9 P11712 1/20 0.43
HTT P42858 1/20 0.43
HRH3 Q9Y5N1 2/20 0.41
OPRM1 P35372 1/20 0.40
OPRD1 P41143 1/20 0.40
OPRK1 P41145 1/20 0.40
OPRL1 P41146 1/20 0.40
PARP1 P09874 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
POLB P06746 1/20 0.40
WDR5 P61964 1/20 0.39
L3MBTL3 Q96JM7 1/20 0.39
L3MBTL1 Q9Y468 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
SCHEMBL4937138 0.92 HRH3 (0.43) ALDH1A1KDM4EGAACYP2C9HRH3
SCHEMBL4937801 0.91 L3MBTL3 (0.50) ALDH1A1KDM4EGAACYP2C9HRH3
SCHEMBL4939123 0.84 ALDH1A1 (0.56) ALDH1A1KDM4EHTTHRH3PARP1
SCHEMBL14282077 0.81 HRH3 (0.44) ALDH1A1HTTHRH3PARP1SMN1; SMN2
SCHEMBL4941322 0.80 PARP1 (0.43) ALDH1A1GAAHTTHRH3PARP1
SCHEMBL4937515 0.80 ALDH1A1 (0.46) ALDH1A1GAACYP2C9HRH3OPRM1
SCHEMBL14282076 0.76 GAA (0.52) ALDH1A1KDM4EGAAHTTSMN1; SMN2
SCHEMBL4935654 0.76 FAAH (0.47) ALDH1A1KDM4EGAAOPRM1OPRD1
SCHEMBL4934984 0.75 GAA (0.50) ALDH1A1KDM4EGAASMN1; SMN2POLB
SCHEMBL4937880 0.74 L3MBTL3 (0.66) ALDH1A1KDM4EHRH3L3MBTL3L3MBTL1

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 ALDH1A1 719/4885KDM4E 2587/4885GAA 640/4885
US-20080004314-A1 Phenylpiperidines and Phenylpyrrolidines HRH2, HNMT, HRH3 ALDH1A1 719/4885KDM4E 2587/4885GAA 640/4885

“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.