SCHEMBL1508627

SCHEMBL1508627

CC[C@H]1C(=O)NC2(CC2)C(=O)N1Cc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.48
BRD4 O60885 2/20 0.41
CYP2C19 P33261 2/20 0.40
ELANE P08246 2/20 0.40
EHMT2 Q96KQ7 1/20 0.39
MEN1 O00255 4/20 0.38
MAPT P10636 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
CHRM3 P20309 1/20 0.38
HSD11B1 P28845 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
SCHEMBL22661899 1.00 KMT2A (0.48) KMT2ABRD4CYP2C19ELANEEHMT2
SCHEMBL1508566 1.00 KMT2A (0.48) KMT2ABRD4CYP2C19ELANEEHMT2
SCHEMBL2491074 0.86 KMT2A (0.48) KMT2ACYP2C19EHMT2MEN1MAPT
SCHEMBL1508950 0.83 KMT2A (0.50) KMT2ACYP2C19ELANEEHMT2MEN1
SCHEMBL1508846 0.83 KMT2A (0.50) KMT2ACYP2C19ELANEEHMT2MEN1
SCHEMBL22661866 0.83 KMT2A (0.50) KMT2ACYP2C19ELANEEHMT2MEN1
SCHEMBL2489351 0.83 KMT2A (0.42) KMT2AELANEEHMT2MEN1MAPT
SCHEMBL2492931 0.83 KMT2A (0.42) KMT2AELANEEHMT2MEN1MAPT
SCHEMBL2487236 0.79 KMT2A (0.39) KMT2ABRD4MEN1MAPTHSD11B1
SCHEMBL23341192 0.75 OPRM1 (0.35) KMT2ABRD4MEN1MAPTNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11370800-B2 Process for the preparation of cyclopropyldiketopiperazines and of a key intermediate of DS-5272 F.I.S.—Fabbrica Italiana Sintetici S.p.A. (IT) 2022-06-28 US disclosed
EP-3580205-B1 PROCESS FOR THE PREPARATION OF CYCLOPROPYLDIKETOPIPERAZINES AND OF A KEY INTERMEDIATE OF DS-5272 FIS FABBRICA ITALIANA SINTETICI SPA (IT) 2021-05-05 EP disclosed
US-20200377521-A1 PROCESS FOR THE PREPARATION OF CYCLOPROPYLDIKETOPIPERAZINES AND OF A KEY INTERMEDIATE OF DS-5272 F.I.S. - FABBRICA ITALIANA SINTETICI S.P.A. (IT) 2020-12-03 US disclosed
US-10836778-B2 Process for the preparation of cyclopropyldiketopiperazines and of a key intermediate of DS-5272 F.I.S.—Fabbrica Italiana Sintetici S.p.A. (IT) 2020-11-17 US disclosed
US-20130172362-A1 Imidazothiazole Derivatives Having Proline Ring Structure DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-07-04 US disclosed
US-20130172362-A1 Imidazothiazole Derivatives Having Proline Ring Structure DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-07-04 US disclosed
US-20130172362-A1 Imidazothiazole Derivatives Having Proline Ring Structure DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-07-04 US disclosed
US-8404691-B2 Imidazothiazole derivatives having proline ring structure DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-03-26 US disclosed
US-8404691-B2 Imidazothiazole derivatives having proline ring structure DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-03-26 US disclosed
US-8404691-B2 Imidazothiazole derivatives having proline ring structure DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-03-26 US disclosed
EP-2298778-A1 IMIDAZOTHIAZOLE DERIVATIVE HAVING 4,7-DIAZASPIROÝ2.5¨OCTANE RING STRUCTURE Daiichi Sankyo Company, Limited (JP) 2011-03-23 EP disclosed
WO-2010082612-A1 IMIDAZOTHIAZOLE DERIVATIVE HAVING PROLINE RING STRUCTURE 第一三共株式会社 (JP) 2010-07-22 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-20130172362-A1 Imidazothiazole Derivatives Having Proline Ring Structure MDM2, TP53, TP53BP1 KMT2A 1912/4885BRD4 1113/4885CYP2C19 4314/4885
US-10836778-B2 Process for the preparation of cyclopropyldiketopiperazines and of a key intermediate of DS-5272 DHPS, DUS2, RPS2 KMT2A 969/4885BRD4 968/4885CYP2C19 1558/4885
US-11370800-B2 Process for the preparation of cyclopropyldiketopiperazines and of a key intermediate of DS-5272 DHPS, DUS2, RPS2 KMT2A 969/4885BRD4 968/4885CYP2C19 1558/4885
US-20200377521-A1 PROCESS FOR THE PREPARATION OF CYCLOPROPYLDIKETOPIPERAZINES AND OF A KEY INTERMEDIATE OF DS-5272 DHPS, DUS2, RPS2 KMT2A 969/4885BRD4 968/4885CYP2C19 1558/4885

“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.