SCHEMBL4037744

SCHEMBL4037744

CC(C)(C)OC(=O)N1CC(=O)CC1c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 6/20 0.47
NR1H3 Q13133 5/20 0.47
RIPK1 Q13546 6/20 0.46
RXRA P19793 2/20 0.43
RORC P51449 2/20 0.43
ABCB1 P08183 1/20 0.42
GPR119 Q8TDV5 1/20 0.42

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
SCHEMBL4037747 1.00 NR1H2 (0.47) NR1H2NR1H3RIPK1RXRARORC
SCHEMBL26117439 0.88 RIPK1 (0.49) NR1H2NR1H3RIPK1RXRARORC
SCHEMBL31316734 0.86 NR1H2 (0.47) NR1H2NR1H3RORC
SCHEMBL29115999 0.86 NR1H2 (0.50) NR1H2NR1H3RIPK1RXRARORC
SCHEMBL642698 0.86 NR1H2 (0.50) NR1H2NR1H3RIPK1RXRARORC
SCHEMBL445614 0.84 RIPK1 (0.52) NR1H2NR1H3RIPK1RXRAGPR119
SCHEMBL433008 0.84 RIPK1 (0.52) NR1H2NR1H3RIPK1RXRAGPR119
SCHEMBL3188035 0.82 NR1H2 (0.56) NR1H2NR1H3RIPK1RORCABCB1
SCHEMBL12668388 0.82 NR1H2 (0.56) NR1H2NR1H3RIPK1RORCABCB1
SCHEMBL3188043 0.82 NR1H2 (0.56) NR1H2NR1H3RIPK1RORCABCB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250206734-A1 BICYCLIC HETEROCYCLES AS MRGPRX2 ANTAGONISTS INCYTE CORPORATION 2025-06-26 US disclosed
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
WO-2005019205-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 (5 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 NR1H2 978/4885NR1H3 1142/4885RIPK1 3658/4885
US-20050043357-A1 Mitotic kinesin inhibitors KIF5B, KIF2C, KIF18B NR1H2 2853/4885NR1H3 2844/4885RIPK1 2607/4885
US-20250206734-A1 BICYCLIC HETEROCYCLES AS MRGPRX2 ANTAGONISTS MRGPRX2, MRGPRX1, MRGPRX4 NR1H2 105/4885NR1H3 181/4885RIPK1 2151/4885
US-20060105997-A1 Mitotic kinesin inhibitors KIF5B, KIF2C, KIF18B NR1H2 2816/4885NR1H3 2820/4885RIPK1 2607/4885
US-20050038074-A1 Mitotic kinesin inhibitors KIF5B, KIF2C, KIF18B NR1H2 2853/4885NR1H3 2844/4885RIPK1 2607/4885

“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.