SCHEMBL4471981

SCHEMBL4471981

C=Cc1cc(Br)ccc1OCCN1CCCC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
LTA4H P09960 1/20 0.51
PTGS2 P35354 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.49
ALDH1A1 P00352 2/20 0.48
HTR1B P28222 1/20 0.48
KDM4E B2RXH2 3/20 0.47
TDP1 Q9NUW8 2/20 0.46
POLB P06746 1/20 0.46
GAA P10253 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C19 P33261 1/20 0.46
HSD17B10 Q99714 1/20 0.46
MAPT P10636 1/20 0.45
HTT P42858 1/20 0.45
LMNA P02545 1/20 0.45
TSHR P16473 1/20 0.44
ATM Q13315 1/20 0.44

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
SCHEMBL4472138 0.86 MEN1 (0.61) MEN1KMT2ALTA4HPTGS2SMN1; SMN2
SCHEMBL31320844 0.86 MEN1 (0.61) MEN1KMT2ALTA4HPTGS2SMN1; SMN2
SCHEMBL2322967 0.82 HTR1B (0.67) MEN1KMT2ALTA4HPTGS2SMN1; SMN2
SCHEMBL2329109 0.79 ALDH1A1 (0.67) MEN1KMT2ALTA4HPTGS2SMN1; SMN2
SCHEMBL6593991 0.79 MEN1 (0.85) MEN1KMT2ALTA4HPTGS2SMN1; SMN2
SCHEMBL2322184 0.79 LTA4H (0.61) MEN1KMT2ALTA4HPTGS2SMN1; SMN2
SCHEMBL22264759 0.79 MEN1 (0.63) MEN1KMT2ASMN1; SMN2ALDH1A1HTR1B
SCHEMBL227430 0.78 LTA4H (0.60) MEN1KMT2ALTA4HPTGS2SMN1; SMN2
SCHEMBL2323789 0.78 LTA4H (0.66) MEN1KMT2ALTA4HPTGS2SMN1; SMN2
SCHEMBL226018 0.78 LTA4H (0.60) MEN1KMT2ALTA4HPTGS2SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7592358-B2 Alkyne compounds with MCH antagonistic activity and medicaments comprising these compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-09-22 US disclosed
EP-1737823-A2 NOVEL ALKYNE COMPOUNDS WITH AN MCH-ANTAGONISTIC ACTION AND MEDICAMENTS COMPRISING SAID COMPOUNDS Boehringer Ingelheim International GmbH (DE) 2007-01-03 EP disclosed
WO-2005103002-A2 NOVEL ALKYNE COMPOUNDS WITH AN MCH-ANTAGONISTIC ACTION AND MEDICAMENTS COMPRISING SAID COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-11-03 WO disclosed
US-20050234101-A1 Alkyne compounds with MCH antagonistic activity and medicaments comprising these compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-10-20 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-20050234101-A1 Alkyne compounds with MCH antagonistic activity and medicaments comprising these compounds MCHR1, GPR119, MCHR2 MEN1 1312/4885KMT2A 1176/4885LTA4H 2437/4885

“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.