SCHEMBL1439563

SCHEMBL1439563

CN1C(=O)CCc2ccc(I)cc21

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TRIM24 O15164 2/20 0.45
CASP3 P42574 1/20 0.42
CYP11B1 P15538 3/20 0.41
CYP11B2 P19099 3/20 0.41
CYP19A1 P11511 2/20 0.41
CYP1A2 P05177 2/20 0.41
CYP17A1 P05093 1/20 0.41
ALOX5 P09917 1/20 0.39
CYP3A4 P08684 1/20 0.39
SRD5A1 P18405 5/20 0.39
TRPV1 Q8NER1 4/20 0.39
HTR1A P08908 1/20 0.38
DRD2 P14416 1/20 0.38
HTR2A P28223 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
SCHEMBL8554279 0.86 CYP11B2 (0.51) TRIM24CASP3CYP11B1CYP11B2CYP19A1
SCHEMBL19657308 0.84 CASP3 (0.43) TRIM24CASP3SRD5A1
SCHEMBL5023390 0.80 SRD5A1 (0.54) TRIM24CYP11B1CYP11B2CYP19A1CYP1A2
SCHEMBL10890659 0.80 TRIM24 (0.46) TRIM24CYP11B1CYP11B2CYP19A1CYP1A2
SCHEMBL496099 0.79 ATAD2 (0.51) TRIM24CYP11B1CYP11B2CYP19A1CYP1A2
SCHEMBL8556641 0.79 SRD5A1 (0.55) TRIM24CYP11B1CYP11B2CYP19A1CYP1A2
SCHEMBL31597788 0.79 SRD5A1 (0.55) TRIM24CYP11B1CYP11B2CYP19A1CYP1A2
SCHEMBL6073803 0.79 PBRM1 (0.46) TRIM24CYP11B1CYP11B2CYP19A1CYP1A2
SCHEMBL29846831 0.79 PBRM1 (0.46) TRIM24CYP11B1CYP11B2CYP19A1CYP1A2
SCHEMBL11263558 0.79 SRD5A1 (0.55) TRIM24CYP1A2CYP3A4SRD5A1TRPV1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016066662-A1 NEW DIHYDROQUINOLINE PYRAZOLYL COMPOUNDS AS ALDOSTERONE SYNTHASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2016-05-06 WO disclosed
US-8987242-B2 Morpholinone compounds as factor IXA inhibitors MERCK SHARP & DOHME CORP. (US) 2015-03-24 US disclosed
EP-2473491-B1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS MOCHIDA PHARM CO LTD (JP) 2013-07-17 EP disclosed
EP-2473491-A1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS Mochida Pharmaceutical Co., Ltd. (JP) 2012-07-11 EP disclosed
US-20110135650-A1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS MERCK SHARP & DOHME LLC 2011-06-09 US disclosed
WO-2011025565-A1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2011-03-03 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-20110135650-A1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS SERPINC1, F9, F8 TRIM24 1113/4885CASP3 2380/4885CYP11B1 2284/4885

“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.