SCHEMBL5225092

SCHEMBL5225092

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.43
LMNA P02545 2/20 0.42
CHRNA7 P36544 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
L3MBTL3 Q96JM7 1/20 0.40
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
USP2 O75604 1/20 0.38
KDM4E B2RXH2 3/20 0.37
NPC1 O15118 1/20 0.37
RECQL P46063 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
ALDH1A1 P00352 2/20 0.36
MAPT P10636 2/20 0.36
GAA P10253 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

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
SCHEMBL6367051 1.00 HRH3 (0.43) HRH3LMNACHRNA7L3MBTL1L3MBTL3
SCHEMBL6365166 1.00 HRH3 (0.43) HRH3LMNACHRNA7L3MBTL1L3MBTL3
SCHEMBL24681359 0.88 CHRNA7 (0.51) HRH3CHRNA7L3MBTL1L3MBTL3KMT2A
SCHEMBL3670183 0.88 L3MBTL1 (0.53) HRH3CHRNA7L3MBTL1L3MBTL3KMT2A
SCHEMBL6366209 0.85 HRH3 (0.43) HRH3LMNAL3MBTL1L3MBTL3MEN1
SCHEMBL6370291 0.85 HRH3 (0.43) HRH3LMNAL3MBTL1L3MBTL3MEN1
SCHEMBL6365345 0.85 HRH3 (0.43) HRH3LMNAL3MBTL1L3MBTL3MEN1
SCHEMBL29965093 0.84 HRH3 (0.52) HRH3CHRNA7L3MBTL1L3MBTL3NPC1
SCHEMBL939817 0.81 KDM4E (0.49) HRH3LMNAL3MBTL1MEN1KMT2A
SCHEMBL2326470 0.78 L3MBTL3 (0.62) HRH3CHRNA7L3MBTL1L3MBTL3RECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1737824-A2 NOVEL ALKYNE COMPOUNDS HAVING AN MCH-ANTAGONISTIC EFFECT, AND MEDICAMENTS CONTAINING SAID COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-01-03 EP disclosed
US-20050245529-A1 Alkyne compounds with MCH antagonistic activity and medicaments comprising these compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-11-03 US disclosed
WO-2005103032-A2 NOVEL ALKYNE COMPOUNDS HAVING AN MCH-ANTAGONISTIC EFFECT, AND MEDICAMENTS CONTAINING SAID COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-11-03 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-20050245529-A1 Alkyne compounds with MCH antagonistic activity and medicaments comprising these compounds MCHR1, GPR119, MCHR2 HRH3 279/4885LMNA 2541/4885CHRNA7 370/4885

“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.