SCHEMBL3060700

SCHEMBL3060700

COC(=O)c1cccc2c1NC(=O)CCC2

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 3/20 0.45
DDB1 Q16531 1/20 0.45
MAPT P10636 1/20 0.44
ALOX5 P09917 1/20 0.44
TRPA1 O75762 4/20 0.39
LMNA P02545 2/20 0.39
TSHR P16473 1/20 0.39
GRM5 P41594 1/20 0.39
SMYD3 Q9H7B4 1/20 0.39
ABL1 P00519 1/20 0.39
RIN1 Q13671 1/20 0.39
ALDH1A1 P00352 2/20 0.38
HPGD P15428 1/20 0.38
CFTR P13569 1/20 0.38
HSD17B10 Q99714 1/20 0.38
PTPRC P08575 1/20 0.38

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
SCHEMBL28629553 0.91 CRBN (0.47) CRBNDDB1ALOX5TRPA1LMNA
SCHEMBL30114834 0.91 CRBN (0.47) CRBNDDB1ALOX5TRPA1LMNA
SCHEMBL1639672 0.84 SMYD3 (0.53) CRBNDDB1ALOX5TRPA1LMNA
SCHEMBL3630293 0.79 SRC (0.50) MAPTALOX5TRPA1LMNATSHR
SCHEMBL23143494 0.78 ALOX5 (0.58) CRBNDDB1ALOX5TRPA1LMNA
Dimethyl Phthalate SCHEMBL27717848 0.77 CRBN (0.53) CRBNDDB1MAPTALOX5LMNA
SCHEMBL31562070 0.76 KDM4E (0.45) ALOX5TRPA1LMNATSHRALDH1A1
SCHEMBL10661545 0.76 KDM4E (0.45) ALOX5TRPA1LMNATSHRALDH1A1
SCHEMBL31305927 0.75 TRPA1 (0.49) MAPTTRPA1LMNATSHRALDH1A1
SCHEMBL7408640 0.75 TRPA1 (0.49) MAPTTRPA1LMNATSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7842688-B2 Organic compounds NOVARTIS PHARMA AG (CH) 2010-11-30 US disclosed
US-7790715-B2 Organic compounds NOVARTIS AG (CH) 2010-09-07 US disclosed
US-20090012055-A1 Organic compounds HEROLD PETER 2009-01-08 US disclosed
EP-1961752-A2 Piperidine Compounds Speedel Experimenta AG (CH) 2008-08-27 EP disclosed
US-20070010511-A1 Organic compounds NOVARTIS PHARMA AG (CH) 2007-01-11 US disclosed
EP-1670760-A1 ORGANIC COMPOUNDS Speedel Experimenta AG (CH) 2006-06-21 EP disclosed
WO-2005061457-A1 ORGANIC COMPOUNDS SPEEDEL EXPERIMENTA AG (CH) 2005-07-07 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 (2 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-20090012055-A1 Organic compounds REN, ACE, ACE2 CRBN 3463/4885DDB1 3611/4885MAPT 2397/4885
US-20070010511-A1 Organic compounds REN, ACE, ACE2 CRBN 3463/4885DDB1 3611/4885MAPT 2397/4885

“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.