SCHEMBL2965532

SCHEMBL2965532

CCN1CCN(C(=O)c2ccc(I)cc2)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.56
HPGD P15428 4/20 0.56
SMN1; SMN2 Q16637 3/20 0.56
KMT2A Q03164 2/20 0.50
HSD17B10 Q99714 1/20 0.49
DUSP3 P51452 3/20 0.49
PTPN5 P54829 3/20 0.49
PTPN11 Q06124 3/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
BLM P54132 1/20 0.49
LSS P48449 1/20 0.48
LMNA P02545 1/20 0.48
MGLL Q99685 1/20 0.48
POLB P06746 1/20 0.48
MAPT P10636 1/20 0.47
APOBEC3G Q9HC16 1/20 0.47

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
SCHEMBL1447377 0.94 ALDH1A1 (0.55) ALDH1A1HPGDSMN1; SMN2KMT2AHSD17B10
SCHEMBL4228629 0.85 ALDH1A1 (0.57) ALDH1A1HPGDSMN1; SMN2KMT2ADUSP3
SCHEMBL10195012 0.85 ALDH1A1 (0.72) ALDH1A1HPGDSMN1; SMN2KMT2ALMNA
SCHEMBL4753521 0.84 ALDH1A1 (0.46) ALDH1A1HPGDSMN1; SMN2KMT2AHSD17B10
SCHEMBL521273 0.83 CA12 (0.58) ALDH1A1HPGDSMN1; SMN2KMT2AHSD17B10
SCHEMBL10282543 0.83 ALDH1A1 (0.69) ALDH1A1HPGDKMT2AHSD17B10DUSP3
SCHEMBL3226386 0.83 ALDH1A1 (0.56) ALDH1A1HPGDSMN1; SMN2KMT2AHSD17B10
SCHEMBL2017162 0.83 ALDH1A1 (0.59) ALDH1A1HPGDSMN1; SMN2KMT2AHSD17B10
SCHEMBL4293002 0.83 BLM (0.70) ALDH1A1HPGDSMN1; SMN2KMT2ABLM
SCHEMBL16299414 0.82 ALDH1A1 (0.65) ALDH1A1HPGDKMT2AHSD17B10DUSP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8987242-B2 Morpholinone compounds as factor IXA inhibitors MERCK SHARP & DOHME CORP. (US) 2015-03-24 US disclosed
US-8642582-B2 Morpholinone compounds as factor IXa inhibitors MERCK SHARP & DOHME CORP. (US) 2014-02-04 US disclosed
US-8541572-B2 Compounds for the treatment of inflammatory disorders MERCK SHARP & DOHME CORP. (US) 2013-09-24 US disclosed
US-8541572-B2 Compounds for the treatment of inflammatory disorders MERCK SHARP & DOHME CORP. (US) 2013-09-24 US disclosed
US-20120010181-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS MERCK SHARP & DOHME CORP. 2012-01-12 US disclosed
US-20120010181-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS MERCK SHARP & DOHME CORP. 2012-01-12 US disclosed
US-20110135650-A1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS MERCK SHARP & DOHME LLC 2011-06-09 US disclosed
US-20110059958-A1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS MERCK SHARP & DOHME LLC 2011-03-10 US disclosed
US-7776867-B2 Furanopyrimidines AMGEN INC. (US) 2010-08-17 US disclosed
US-7776867-B2 Furanopyrimidines AMGEN INC. (US) 2010-08-17 US disclosed
US-7776867-B2 Furanopyrimidines AMGEN INC. (US) 2010-08-17 US disclosed
WO-2010054279-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS SCHERING CORPORATION (US) 2010-05-14 WO disclosed
EP-1768986-A2 FURANOPYRIMIDINES Amgen Inc. (US) 2007-04-04 EP disclosed
US-20060040961-A1 Furanopyrimidines AMGEN INC. 2006-02-23 US disclosed
WO-2006004658-A2 FURANOPYRIMIDINES AMGEN INC. (US) 2006-01-12 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 (4 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-20110135650-A1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS SERPINC1, F9, F8 ALDH1A1 2444/4885HPGD 3092/4885SMN1; SMN2 1538/4885
US-20060040961-A1 Furanopyrimidines TYMS, IDO1, NFATC1 ALDH1A1 159/4885HPGD 1536/4885SMN1; SMN2 1350/4885
US-20120010181-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS TNF, ADAMTS1, ADAMTS7 ALDH1A1 1148/4885HPGD 249/4885SMN1; SMN2 1789/4885
US-20110059958-A1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS SERPINC1, F9, F8 ALDH1A1 2444/4885HPGD 3092/4885SMN1; SMN2 1538/4885

“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.