SCHEMBL6370291

SCHEMBL6370291

CC1CCN(C2CCCN(c3ccc(I)cc3)C2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.43
LMNA P02545 1/20 0.42
L3MBTL1 Q9Y468 3/20 0.40
L3MBTL3 Q96JM7 2/20 0.40
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
USP2 O75604 1/20 0.38
NPC1 O15118 1/20 0.37
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
MAPK1 P28482 1/20 0.36
RAD52 P43351 1/20 0.36
GFER P55789 1/20 0.36
ADRA2A P08913 1/20 0.35
ADRA2B P18089 1/20 0.35
ADRA2C P18825 1/20 0.35
HTR6 P50406 1/20 0.35
MBTD1 Q05BQ5 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
SCHEMBL6366209 1.00 HRH3 (0.43) HRH3LMNAL3MBTL1L3MBTL3MEN1
SCHEMBL6365345 1.00 HRH3 (0.43) HRH3LMNAL3MBTL1L3MBTL3MEN1
SCHEMBL6365166 0.85 HRH3 (0.43) HRH3LMNAL3MBTL1L3MBTL3MEN1
SCHEMBL6367051 0.85 HRH3 (0.43) HRH3LMNAL3MBTL1L3MBTL3MEN1
SCHEMBL5225092 0.85 HRH3 (0.43) HRH3LMNAL3MBTL1L3MBTL3MEN1
SCHEMBL29964668 0.84 HRH3 (0.52) HRH3L3MBTL1L3MBTL3NPC1ADRA2A
SCHEMBL4527840 0.78 L3MBTL3 (0.62) HRH3L3MBTL1L3MBTL3MBTD1
SCHEMBL578751 0.73 L3MBTL3 (0.58) HRH3L3MBTL1L3MBTL3MEN1KMT2A
SCHEMBL24681359 0.72 CHRNA7 (0.51) HRH3L3MBTL1L3MBTL3KMT2AUSP2
SCHEMBL3670183 0.72 L3MBTL1 (0.53) HRH3L3MBTL1L3MBTL3KMT2AUSP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050245529-A1 Alkyne compounds with MCH antagonistic activity and medicaments comprising these compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-11-03 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-20050245529-A1 Alkyne compounds with MCH antagonistic activity and medicaments comprising these compounds MCHR1, GPR119, MCHR2 HRH3 279/4885LMNA 2541/4885L3MBTL1 1225/4885

“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.