SCHEMBL3963958

SCHEMBL3963958

CC(C)(C)OC(=O)N1CCC(N2Cc3cscc3NC2=O)CC1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.44
MAPT P10636 1/20 0.44
THRB P10828 1/20 0.44
TP53 P04637 1/20 0.44
CALCRL Q16602 6/20 0.43
RAMP1 O60894 3/20 0.42
FPR2 P25090 1/20 0.41
USP30 Q70CQ3 1/20 0.41
NAMPT P43490 1/20 0.41
CTSD P07339 1/20 0.40
CTSE P14091 1/20 0.40
BACE1 P56817 1/20 0.40
DDB1 Q16531 2/20 0.40
CRBN Q96SW2 2/20 0.40
ALDH1A1 P00352 1/20 0.40
HCAR1 Q9BXC0 1/20 0.40
GPR119 Q8TDV5 1/20 0.40

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
SCHEMBL2604336 0.83 CALCRL (0.58) CALCRLRAMP1NAMPT
SCHEMBL4072288 0.82 CALCRL (0.42) CALCRLRAMP1
SCHEMBL24895522 0.81 MAPT (0.48) KDM4EMAPTTHRBTP53CALCRL
SCHEMBL3954165 0.80 TP53 (0.46) KDM4EMAPTTHRBTP53CALCRL
SCHEMBL5088976 0.80 FPR2 (0.50) KDM4EMAPTTHRBTP53CALCRL
SCHEMBL1813251 0.80 MAPT (0.49) KDM4EMAPTTHRBTP53FPR2
SCHEMBL4072291 0.77 CALCRL (0.37) CALCRLRAMP1
SCHEMBL5091149 0.77 GPR119 (0.46) CALCRLRAMP1USP30NAMPTDDB1
SCHEMBL30079289 0.76 DDB1 (0.43) KDM4EMAPTTHRBTP53CALCRL
SCHEMBL30079439 0.76 DDB1 (0.43) KDM4EMAPTTHRBTP53FPR2

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
US-20090163480-A1 Modified amino acids, pharmaceuticals containing these compounds and method for their production DR. KARL THOMAE GMBH (DE) 2009-06-25 US disclosed
US-7498325-B2 Modified amino acids, pharmaceuticals containing these compounds and method for their production KARL THOMAS GMBH (DE) 2009-03-03 US disclosed
EP-1440976-B1 Modified aminoacids, pharmaceuticals containing these compounds and method for their production BOEHRINGER INGELHEIM PHARMA (DE) 2008-07-23 EP disclosed
US-20040214819-A1 Modified amino acids, pharmaceuticals containing these compounds and method for their production DR. KARL THOMAE GMBH (DE) 2004-10-28 US disclosed
EP-1440976-A1 Modified aminoacids, pharmaceuticals containing these compounds and method for their production Boehringer Ingelheim Pharma GmbH & Co.KG (DE) 2004-07-28 EP disclosed
EP-0927192-B1 MODIFIED AMINOACIDS, PHARMACEUTICALS CONTAINING THESE COMPOUNDS AND METHOD FOR THEIR PRODUCTION BOEHRINGER INGELHEIM PHARMA (DE) 2004-05-12 EP disclosed
US-20030069231-A1 Modified aminoacids, pharmaceuticals containing these compounds and method for their production RUDOLF KLAUS (DE) 2003-04-10 US disclosed
US-6344449-B1 HEADACHE AND MORPHINE DEPENDENCE DR. KARL THOMAE GMBH (DE) 2002-02-05 US disclosed
US-20010036946-A1 Modified amino acids, pharmaceuticals containing these compounds and method for their production RUDOLF KLAUS (DE) 2001-11-01 US 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-20090163480-A1 Modified amino acids, pharmaceuticals containing these compounds and method for their production PTMS, CHRM1, SRMS KDM4E 2890/4885MAPT 201/4885THRB 350/4885
US-20040214819-A1 Modified amino acids, pharmaceuticals containing these compounds and method for their production PTMS, SRMS, OPRM1 KDM4E 2891/4885MAPT 164/4885THRB 447/4885
US-20030069231-A1 Modified aminoacids, pharmaceuticals containing these compounds and method for their production SLC1A5, NEFM, SRMS KDM4E 2928/4885MAPT 197/4885THRB 424/4885
US-20010036946-A1 Modified amino acids, pharmaceuticals containing these compounds and method for their production PTMS, SRMS, OPRM1 KDM4E 2891/4885MAPT 164/4885THRB 447/4885

“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.