SCHEMBL4032833

SCHEMBL4032833

O=C(O)N1CC(O)CC1c1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 8/20 0.64
SCD O00767 1/20 0.49
PIK3CD O00329 2/20 0.45
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
POLB P06746 2/20 0.42
ALDH1A1 P00352 1/20 0.39
RAB9A P51151 1/20 0.39
KDM4E B2RXH2 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ATM Q13315 1/20 0.37
GRIN2B Q13224 1/20 0.36

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
SCHEMBL18863621 1.00 RIPK1 (0.64) RIPK1SCDPIK3CDKMT2AMEN1
SCHEMBL4070782 1.00 RIPK1 (0.64) RIPK1SCDPIK3CDKMT2AMEN1
SCHEMBL2237484 0.83 PIK3CD (0.48) RIPK1SCDPIK3CD
SCHEMBL16401399 0.83 RIPK1 (0.50) RIPK1POLB
SCHEMBL4657693 0.83 RIPK1 (0.47) RIPK1SCDKMT2AMEN1POLB
SCHEMBL4657697 0.83 RIPK1 (0.47) RIPK1SCDKMT2AMEN1POLB
SCHEMBL19217395 0.81 RIPK1 (0.59) RIPK1SCDPIK3CDKMT2AMEN1
SCHEMBL19217168 0.81 RIPK1 (0.59) RIPK1SCDPIK3CDKMT2AMEN1
SCHEMBL29082367 0.80 RIPK1 (0.48) RIPK1SCDPOLB
SCHEMBL29082368 0.80 RIPK1 (0.48) RIPK1SCDPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1515724-B1 MITOTIC KINESIN INHIBITORS MERCK & CO INC (US) 2009-10-21 EP disclosed
EP-1664026-B1 MITOTIC KINESIN INHIBITORS MERCK & CO INC (US) 2009-01-21 EP disclosed
US-7465746-B2 Fluorinated 2,4-diaryl-2,5-dihydropyrrole inhibitors of the mitotic kinesin KSP MERCK & CO., INC. (US) 2008-12-16 US disclosed
US-7348440-B2 Kinesin spindle protein (KSP) inhibitors, e.g., 4-(2,5-Difluorophenyl)-N-[(3S,4S)-3-fluoropiperidin-4-yl]-2-hydroxymethyl)-N-methyl-2-phenyl-2,5-dihydro-1N-pyrrole-1-carboxamide, and a carrier; antiproliferative and -carcinogenic agents; side effects reduction; used with an estrogen receptor modulator MERCK & CO., INC. (US) 2008-03-25 US disclosed
EP-1551962-A4 MITOTIC KINESIN BINDING SITE MERCK & CO INC (US) 2007-08-01 EP disclosed
US-20060234984-A1 Kinesin spindle protein (KSP) inhibitors, e.g., 4-(2,5-Difluorophenyl)-N-[(3S,4S)-3-fluoropiperidin-4-yl]-2-hydroxymethyl)-N-methyl-2-phenyl-2,5-dihydro-1N-pyrrole-1-carboxamide, and a carrier; antiproliferative and -carcinogenic agents; side effects reduction; used with an estrogen receptor modulator MERCK & CO., INC. 2006-10-19 US disclosed
US-20060134767-A1 Mitotic kinesin binding site MERCK & CO., INC. 2006-06-22 US disclosed
EP-1664026-A1 MITOTIC KINESIN INHIBITORS Merck & Co., Inc. (US) 2006-06-07 EP disclosed
US-20060105997-A1 Mitotic kinesin inhibitors MERCK SHARP & DOHME CORP. 2006-05-18 US disclosed
EP-1515724-A4 MITOTIC KINESIN INHIBITORS MERCK & CO INC (US) 2005-08-17 EP disclosed
EP-1551962-A2 MITOTIC KINESIN BINDING SITE Merck & Co., Inc. (US) 2005-07-13 EP disclosed
EP-1515724-A1 MITOTIC KINESIN INHIBITORS Merck & Co., Inc. (US) 2005-03-23 EP disclosed
WO-2005019206-A1 MITOTIC KINESIN INHIBITORS MERCK & CO., INC. (US) 2005-03-03 WO disclosed
US-20050043357-A1 Mitotic kinesin inhibitors MERCK SHARP & DOHME CORP. 2005-02-24 US disclosed
US-20050038074-A1 Mitotic kinesin inhibitors COLEMAN PAUL J (US) 2005-02-17 US disclosed
WO-2004087050-A2 MITOTIC KINESIN INHIBITORS MERCK & CO., INC. (US) 2004-10-14 WO disclosed
WO-2004004652-A2 MITOTIC KINESIN BINDING SITE MERCK & CO., INC. (US) 2004-01-15 WO disclosed
WO-2003105855-A1 MITOTIC KINESIN INHIBITORS MERCK & CO., INC. (US) 2003-12-24 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-20060234984-A1 Kinesin spindle protein (KSP) inhibitors, e.g., 4-(2,5-Difluorophenyl)-N-[(3S,4S)-3-fluoropiperidin-4-yl]-2-hydroxymethyl)-N-methyl-2-phenyl-2,5-dihydro-1N-pyrrole-1-carboxamide, and a carrier; antiproliferative and -carcinogenic agents; side effects reduction; used with an estrogen receptor modulator KIF5B, KIF2C, KIF5C RIPK1 3658/4885SCD 3648/4885PIK3CD 690/4885
US-20050043357-A1 Mitotic kinesin inhibitors KIF5B, KIF2C, KIF18B RIPK1 2607/4885SCD 3572/4885PIK3CD 664/4885
US-20060105997-A1 Mitotic kinesin inhibitors KIF5B, KIF2C, KIF18B RIPK1 2607/4885SCD 3559/4885PIK3CD 719/4885
US-20050038074-A1 Mitotic kinesin inhibitors KIF5B, KIF2C, KIF18B RIPK1 2607/4885SCD 3572/4885PIK3CD 664/4885

“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.