SCHEMBL1947590

SCHEMBL1947590

CC(C)c1ccc(NCCCl)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFKB1 P19838 1/20 0.43
EGFR P00533 1/20 0.42
ERBB2 P04626 1/20 0.42
MAPT P10636 4/20 0.41
GAA P10253 4/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
ALOX15 P16050 1/20 0.40
ALOX12 P18054 1/20 0.40
MAPK1 P28482 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HPGD P15428 1/20 0.40
ICMT O60725 1/20 0.39
EPHX1 P07099 2/20 0.38
LMNA P02545 1/20 0.38
KIF11 P52732 1/20 0.38
STK17B O94768 1/20 0.38
STK17A Q9UEE5 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
SCHEMBL11117632 0.88 STK17B (0.45) NFKB1EGFRERBB2MAPTGAA
SCHEMBL2064181 0.87 MAPT (0.54) NFKB1MAPTGAASMN1; SMN2KDM4E
SCHEMBL12963093 0.81 EPHX1 (0.46) NFKB1MAPTGAASMN1; SMN2KDM4E
SCHEMBL16869986 0.79 SMN1; SMN2 (0.49) MAPTGAASMN1; SMN2KDM4EALDH1A1
SCHEMBL4409856 0.79 STK17B (0.43) NFKB1MAPTGAASMN1; SMN2KDM4E
SCHEMBL16869951 0.79 MAPT (0.41) NFKB1MAPTGAASMN1; SMN2KDM4E
SCHEMBL20883650 0.79 MAPT (0.46) NFKB1MAPTGAASMN1; SMN2KDM4E
SCHEMBL1947326 0.78 MEN1 (0.47) MAPTGAAALDH1A1HPGDLMNA
SCHEMBL854855 0.78 EPHX1 (0.51) MAPTGAASMN1; SMN2KDM4EALDH1A1
SCHEMBL24196455 0.76 FAAH (0.46) NFKB1MAPTGAASMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2373634-B1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS MOCHIDA PHARM CO LTD (JP) 2015-11-11 EP disclosed
US-8987242-B2 Morpholinone compounds as factor IXA inhibitors MERCK SHARP & DOHME CORP. (US) 2015-03-24 US disclosed
CN-104357015-A Stable long-acting glass antifogging agent QINGDAO ZHIGU INNOVATION TECHNOLOGY CO LTD 2015-02-18 CN disclosed
CN-104031750-A Glass tool cleaning agent CHUZHOU SMET COMPOUND MATERIALS CO LTD 2014-09-10 CN disclosed
US-8642582-B2 Morpholinone compounds as factor IXa inhibitors MERCK SHARP & DOHME CORP. (US) 2014-02-04 US disclosed
EP-2373634-A1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS Mochida Pharmaceutical Co., Ltd. (JP) 2011-10-12 EP 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
WO-2010065717-A1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2010-06-10 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-20110135650-A1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS SERPINC1, F9, F8 NFKB1 661/4885EGFR 2213/4885ERBB2 4790/4885
US-20110059958-A1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS SERPINC1, F9, F8 NFKB1 661/4885EGFR 2213/4885ERBB2 4790/4885

“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.