SCHEMBL94337

SCHEMBL94337

[CH2]c1ccc(C(=O)N(C)C2CCN(C)CC2)cc1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 4/20 0.50
LMNA P02545 2/20 0.50
CCR5 P51681 2/20 0.47
PDK2 Q15119 2/20 0.47
TLR9 Q9NR96 1/20 0.47
TLR8 Q9NR97 1/20 0.47
TLR7 Q9NYK1 1/20 0.47
HRH3 Q9Y5N1 1/20 0.46
MAPT P10636 1/20 0.46
ALDH1A1 P00352 1/20 0.45
BRD4 O60885 1/20 0.45
TAF1 P21675 1/20 0.45
CECR2 Q9BXF3 1/20 0.45
USP30 Q70CQ3 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
ADORA2A P29274 1/20 0.44
ADORA1 P30542 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
SCHEMBL25498560 0.86 LMNA (0.65) MCHR1LMNACCR5PDK2HRH3
SCHEMBL12082859 0.86 PDK2 (0.61) MCHR1LMNACCR5PDK2TLR9
SCHEMBL95193 0.85 MCHR1 (0.53) MCHR1CCR5PDK2USP30
SCHEMBL16553814 0.85 HTR2A (0.54) MCHR1LMNACCR5PDK2HRH3
SCHEMBL1164100 0.85 MCHR1 (0.50) MCHR1LMNACCR5PDK2HRH3
SCHEMBL3329900 0.84 CCR5 (0.55) MCHR1CCR5HRH3USP30ADORA2A
SCHEMBL95169 0.83 ALDH1A1 (0.58) LMNAMAPTALDH1A1BRD4
SCHEMBL15088420 0.82 MCHR1 (0.67) MCHR1LMNAMAPTALDH1A1L3MBTL1
SCHEMBL28506409 0.82 MCHR1 (0.48) MCHR1LMNACCR5PDK2TLR9
SCHEMBL21077844 0.82 MCHR1 (0.58) MCHR1LMNACCR5PDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8362252-B2 Carbostyril compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-01-29 US disclosed
EP-1797082-B1 CARBOSTYRIL COMPOUND OTSUKA PHARMA CO LTD (JP) 2012-08-29 EP disclosed
EP-2426128-A1 Carbostyril compound Otsuka Pharmaceutical Co., Limited (JP) 2012-03-07 EP disclosed
US-20100261705-A1 CARBOSTYRIL COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. 2010-10-14 US disclosed
US-7777038-B2 Carbostyril compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-08-17 US disclosed
US-20090326008-A1 NF-kappa B Inhibitor OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2009-12-31 US disclosed
CN-101489555-A Nf-kappa OTSUKA PHARMA CO LTD (JP) 2009-07-22 CN disclosed
EP-2043644-A1 NF- B INHIBITOR Otsuka Pharmaceutical Co., Ltd. (JP) 2009-04-08 EP disclosed
WO-2008010601-A1 NF- ϰB INHIBITOR OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2008-01-24 WO disclosed
US-20070179173-A1 Carbostyril compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-02 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 (3 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-20090326008-A1 NF-kappa B Inhibitor NFKBIA, NFKB2, IKBKB MCHR1 4289/4885LMNA 3740/4885CCR5 1563/4885
US-20070179173-A1 Carbostyril compound GTF2F1, F3, GTF2F2 MCHR1 1377/4885LMNA 4860/4885CCR5 488/4885
US-20100261705-A1 CARBOSTYRIL COMPOUND GTF2F1, F3, GTF2F2 MCHR1 1377/4885LMNA 4860/4885CCR5 488/4885

“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.