SCHEMBL5491068

SCHEMBL5491068

FC(F)(F)c1cc(CN2CCC(N3CCCC3)CC2)ccc1C(C1CCNCC1)N1CCCC1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
L3MBTL3 Q96JM7 4/20 0.42
MBTD1 Q05BQ5 3/20 0.42
TACR1 P25103 8/20 0.39
L3MBTL1 Q9Y468 3/20 0.39
TP53BP1 Q12888 1/20 0.39
TRPV6 Q9H1D0 1/20 0.35
HRH3 Q9Y5N1 1/20 0.34
CHRM1 P11229 2/20 0.34
TSHR P16473 1/20 0.34

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
SCHEMBL5493242 0.69 CXCR4 (0.50) HRH3CHRM1
SCHEMBL5493369 0.69 CXCR4 (0.50) HRH3CHRM1
SCHEMBL5495347 0.69 CXCR4 (0.50) HRH3CHRM1
SCHEMBL4937801 0.67 L3MBTL3 (0.50) L3MBTL3MBTD1L3MBTL1TP53BP1HRH3
SCHEMBL4938449 0.66 HTR2C (0.43) TACR1CHRM1
SCHEMBL5488053 0.63 CXCR4 (0.46) HRH3CHRM1
SCHEMBL5487372 0.63 HRH3 (0.48) HRH3CHRM1
SCHEMBL4941263 0.63 CXCR4 (0.46) HRH3CHRM1
SCHEMBL5491004 0.63 CXCR4 (0.46) HRH3CHRM1
Hydrochloric Acid SCHEMBL3716147 0.63 CHRM1 (0.60) L3MBTL1CHRM1TSHR

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 8 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-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 (1 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 L3MBTL3 4833/4885MBTD1 3982/4885TACR1 52/4885

“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.