SCHEMBL7220649

SCHEMBL7220649

N#Cc1ccc(-c2ccc(OCCCCl)c(I)c2)cc1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 8/20 0.40
▸ HRH2 P25021 6/20 0.40
▸ HRH1 P35367 6/20 0.40
▸ MMP2 P08253 3/20 0.39
▸ MMP3 P08254 5/20 0.38
▸ HDAC1 Q13547 1/20 0.37
▸ HDAC2 Q92769 1/20 0.37
▸ MMP1 P03956 1/20 0.37
▸ MMP9 P14780 1/20 0.37
▸ MMP13 P45452 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.36
▸ HPGD P15428 1/20 0.36

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
SCHEMBL7223288 0.84 MRGPRX4 (0.42) HRH3HRH2HRH1MMP2MMP3
SCHEMBL7228479 0.82 HRH3 (0.56) HRH3HRH2HRH1MMP2MMP3
SCHEMBL7226578 0.82 HRH3 (0.42) HRH3HRH2HRH1MMP2MMP3
SCHEMBL7222806 0.81 KIT (0.46) HRH3HRH2HRH1ALDH1A1HPGD
SCHEMBL25040866 0.81 MMP2 (0.41) HRH3HRH2HRH1MMP2MMP3
SCHEMBL23499617 0.79 MMP3 (0.44) HRH3HRH2HRH1MMP2MMP3
SCHEMBL5624212 0.77 MMP2 (0.60) HRH3HRH2HRH1MMP2MMP3
SCHEMBL29578385 0.76 TRPV4 (0.43) —
SCHEMBL10728257 0.73 MRGPRX4 (0.49) ALDH1A1HPGD
SCHEMBL6709103 0.73 MMP3 (0.59) HRH3HRH2HRH1MMP2MMP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6620839-B2 1,3-disubstituted and 1,3,3-trisubstituted pyrrolidines as histamine-3 receptor ligands and their therapeutic applications ABBOTT LABORATORIES 2003-09-16 — — US disclosed
US-20020137931-A1 1,3-disubstituted and 1,3,3-trisubstituted pyrrolidines as histamine-3 receptor ligands and their therapeutic applications ABBVIE INC. 2002-09-26 — — 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 (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-20020137931-A1 1,3-disubstituted and 1,3,3-trisubstituted pyrrolidines as histamine-3 receptor ligands and their therapeutic applications HRH3, HRH4, HRH1 HRH3 1/4885HRH2 4/4885HRH1 3/4885

“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.

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