SCHEMBL1946702

SCHEMBL1946702

CCc1ccc(N(CCCl)C(=O)[C@H](O)[C@@H](O)C(=O)Nc2ccc(C#N)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SAE1 Q9UBE0 1/20 0.40
UBA2 Q9UBT2 1/20 0.40
RORC P51449 4/20 0.39
POLB P06746 1/20 0.39
CYP2A6 P11509 1/20 0.39
PSMB5 P28074 1/20 0.38
CRHBP P24387 1/20 0.37
CRHR2 Q13324 1/20 0.37
CNR1 P21554 1/20 0.36
KMT2A Q03164 2/20 0.36
ATM Q13315 1/20 0.36
MAPT P10636 2/20 0.36
LMNA P02545 1/20 0.36
TSHR P16473 1/20 0.36
HTT P42858 1/20 0.36
NLRP3 Q96P20 1/20 0.36
MEN1 O00255 1/20 0.35
MCL1 Q07820 1/20 0.35
ALDH1A1 P00352 2/20 0.35
TP53 P04637 1/20 0.35

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
SCHEMBL1947458 0.91 SAE1 (0.41) SAE1UBA2RORCPOLBPSMB5
SCHEMBL1437821 0.90 RORC (0.45) SAE1UBA2RORCPOLBKMT2A
SCHEMBL1950090 0.88 MAPT (0.37) SAE1UBA2RORCPOLBCNR1
SCHEMBL6525678 0.87 EPHX2 (0.39) SAE1UBA2RORCPOLBKMT2A
SCHEMBL1438858 0.87 EPHX2 (0.39) SAE1UBA2RORCPOLBKMT2A
SCHEMBL17237634 0.84 PSMB5 (0.37) SAE1UBA2RORCPOLBCYP2A6
SCHEMBL1950082 0.84 EGLN2 (0.38) SAE1UBA2RORCPOLBKMT2A
SCHEMBL1948176 0.82 DRD3 (0.35) SAE1UBA2RORCCNR1KMT2A
SCHEMBL1438359 0.80 RORC (0.35) SAE1UBA2RORCPOLBKMT2A
SCHEMBL1949670 0.80 SMN1; SMN2 (0.38) RORCKMT2AMAPTLMNAHTT

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
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
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 SAE1 2756/4885UBA2 4226/4885RORC 4696/4885
US-20110059958-A1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS SERPINC1, F9, F8 SAE1 2756/4885UBA2 4226/4885RORC 4696/4885

“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.