SCHEMBL3961969

SCHEMBL3961969

CC(C)(C)OC(=O)N[C@@H](Cc1ccncc1)C(=O)N1CCN(c2ccncc2)CC1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HRH2 P25021 3/20 0.57
HRH1 P35367 3/20 0.57
KMT2A Q03164 3/20 0.51
GAA P10253 1/20 0.48
MAPK1 P28482 1/20 0.48
MC4R P32245 1/20 0.46
PABPC1 P11940 1/20 0.45
MEN1 O00255 1/20 0.45
POLB P06746 2/20 0.44
GFER P55789 1/20 0.44
GPR119 Q8TDV5 1/20 0.44
TGM2 P21980 1/20 0.43
ADORA1 P30542 1/20 0.43
CTSS P25774 2/20 0.43
CTSL P07711 1/20 0.43
CTSB P07858 1/20 0.43
CTSK P43235 1/20 0.43
CALCRL Q16602 1/20 0.42
P2RX7 Q99572 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
SCHEMBL3961973 1.00 HRH2 (0.57) HRH2HRH1KMT2AGAAMAPK1
SCHEMBL13374283 0.89 HRH2 (0.58) HRH2HRH1KMT2AMAPK1PABPC1
SCHEMBL13374235 0.89 HRH2 (0.58) HRH2HRH1KMT2AMAPK1PABPC1
SCHEMBL13375717 0.89 HRH2 (0.58) HRH2HRH1KMT2AMAPK1PABPC1
SCHEMBL6070046 0.85 KMT2A (0.60) HRH2HRH1KMT2AMAPK1MC4R
SCHEMBL6070052 0.85 KMT2A (0.60) HRH2HRH1KMT2AMAPK1MC4R
SCHEMBL9483845 0.83 KMT2A (0.56) HRH2HRH1KMT2AGAAMAPK1
SCHEMBL9483838 0.83 KMT2A (0.56) HRH2HRH1KMT2AGAAMAPK1
SCHEMBL5891761 0.82 KMT2A (0.55) HRH2HRH1KMT2AMAPK1PABPC1
SCHEMBL4510471 0.82 MC4R (0.56) HRH2HRH1KMT2AGAAMAPK1

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 HRH2 272/4885HRH1 89/4885KMT2A 2685/4885
US-20040214819-A1 Modified amino acids, pharmaceuticals containing these compounds and method for their production PTMS, SRMS, OPRM1 HRH2 473/4885HRH1 174/4885KMT2A 2655/4885
US-20030069231-A1 Modified aminoacids, pharmaceuticals containing these compounds and method for their production SLC1A5, NEFM, SRMS HRH2 244/4885HRH1 100/4885KMT2A 2610/4885
US-20010036946-A1 Modified amino acids, pharmaceuticals containing these compounds and method for their production PTMS, SRMS, OPRM1 HRH2 473/4885HRH1 174/4885KMT2A 2655/4885

“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.