SCHEMBL4592097

SCHEMBL4592097

CCN(Cc1ccc(Br)cc1)CC(C)(C)O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PYCR1 P32322 7/20 0.54
KDM4E B2RXH2 2/20 0.51
ALDH1A1 P00352 2/20 0.51
HRH3 Q9Y5N1 2/20 0.46
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
MAOB P27338 1/20 0.38
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
PKM P14618 1/20 0.36
MAPK1 P28482 1/20 0.36
KMT2A Q03164 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
CTSK P43235 1/20 0.36
MMP1 P03956 1/20 0.36
MMP9 P14780 1/20 0.36
MMP13 P45452 1/20 0.36
TAAR1 Q96RJ0 1/20 0.35
OPRM1 P35372 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
SCHEMBL4592214 0.83 KDM4E (0.41) PYCR1KDM4EALDH1A1MAOBMEN1
SCHEMBL69821 0.81 PYCR1 (0.69) PYCR1KDM4EALDH1A1HRH3HDAC8
SCHEMBL10187442 0.81 PYCR1 (0.69) PYCR1KDM4EALDH1A1HRH3HDAC8
SCHEMBL4592107 0.75 ALDH1A1 (0.59) PYCR1KDM4EALDH1A1HRH3HDAC8
SCHEMBL27863482 0.74 PYCR1 (0.61) PYCR1KDM4EALDH1A1HRH3HDAC8
SCHEMBL29083510 0.72 PYCR1 (0.64) PYCR1KDM4EALDH1A1HRH3MAOB
SCHEMBL2518042 0.72 ALDH1A1 (0.46) KDM4EALDH1A1MEN1KMT2AMMP1
SCHEMBL25541295 0.71 HRH3 (0.52) PYCR1KDM4EALDH1A1HRH3HDAC8
SCHEMBL25241664 0.70 AOC3 (0.46) PYCR1ALDH1A1MEN1KMT2A
SCHEMBL22340499 0.70 PYCR1 (0.64) PYCR1KDM4EALDH1A1HRH3HDAC8

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
CN-101296906-A (hetero)aryl compounds with MCH antagonistic activity and medicaments comprising these compounds BOEHRINGER INGELHEIM INT (DE) 2008-10-29 CN disclosed
EP-1943231-A1 (HETERO)ARYL COMPOUNDS WITH MCH ANTAGONISTIC ACTIVITY AND MEDICAMENTS COMPRISING THESE COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-07-16 EP disclosed
US-20070111981-A1 New (hetero)aryl compounds with MCH antagonistic activity and medicaments comprising these compounds ROTH GERALD J 2007-05-17 US disclosed
WO-2007048802-A1 (HETERO)ARYL COMPOUNDS WITH MCH ANTAGONISTIC ACTIVITY AND MEDICAMENTS COMPRISING THESE COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-05-03 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-20070111981-A1 New (hetero)aryl compounds with MCH antagonistic activity and medicaments comprising these compounds MCHR1, GPR119, MCHR2 PYCR1 387/4885KDM4E 1313/4885ALDH1A1 3960/4885

“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.