SCHEMBL4484633

SCHEMBL4484633

NCc1cc(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
KDM4E B2RXH2 4/20 0.49
TDP1 Q9NUW8 3/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
ALDH1A1 P00352 2/20 0.48
CCR5 P51681 2/20 0.48
HTR1B P28222 1/20 0.48
HRH1 P35367 3/20 0.48
DRD1 P21728 2/20 0.48
DRD4 P21917 2/20 0.48
DRD5 P21918 2/20 0.48
DRD3 P35462 2/20 0.48
DRD2 P14416 1/20 0.47
POLB P06746 1/20 0.46
GAA P10253 1/20 0.46
MAPT P10636 1/20 0.45
HTT P42858 1/20 0.45

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
SCHEMBL4481567 0.86 MEN1 (0.57) MEN1KMT2ALTA4HPTGS2KDM4E
SCHEMBL4478052 0.86 MEN1 (0.61) MEN1KMT2ALTA4HPTGS2KDM4E
SCHEMBL4485184 0.83 SMN1; SMN2 (0.49) MEN1KMT2ALTA4HKDM4ETDP1
SCHEMBL2322967 0.82 HTR1B (0.67) MEN1KMT2ALTA4HPTGS2KDM4E
SCHEMBL6593991 0.79 MEN1 (0.85) MEN1KMT2ALTA4HPTGS2KDM4E
SCHEMBL2322184 0.79 LTA4H (0.61) MEN1KMT2ALTA4HPTGS2KDM4E
SCHEMBL2329109 0.79 ALDH1A1 (0.67) MEN1KMT2ALTA4HPTGS2KDM4E
SCHEMBL20511573 0.79 MEN1 (0.56) MEN1KMT2ALTA4HPTGS2KDM4E
SCHEMBL227430 0.78 LTA4H (0.60) MEN1KMT2ALTA4HPTGS2KDM4E
SCHEMBL2323789 0.78 LTA4H (0.66) MEN1KMT2ALTA4HPTGS2KDM4E

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.