SCHEMBL3964744

SCHEMBL3964744

CC(C)(C)OC(=O)N(C(=O)CNC1CCN(Cc2ccccc2)CC1)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.52
SIGMAR1 Q99720 4/20 0.47
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
OPRM1 P35372 2/20 0.47
ACHE P22303 4/20 0.47
BCHE P06276 2/20 0.47
BACE1 P56817 2/20 0.47
TACR1 P25103 1/20 0.47
DPP7 Q9UHL4 2/20 0.47
POLB P06746 1/20 0.47
CHRM2 P08172 1/20 0.46
CHRM3 P20309 1/20 0.46
LMNA P02545 1/20 0.46
HTR2A P28223 1/20 0.45
HTR2C P28335 1/20 0.45
HTR2B P41595 1/20 0.45
KDM4E B2RXH2 1/20 0.45
MITF O75030 1/20 0.45
ALDH1A1 P00352 1/20 0.45

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
SCHEMBL5711288 0.82 MAOB (0.60) MAOBSIGMAR1MEN1KMT2AACHE
SCHEMBL3593211 0.76 KDM4E (0.58) MAOBSIGMAR1MEN1KMT2AACHE
SCHEMBL915402 0.76 KMT2A (0.65) MAOBSIGMAR1MEN1KMT2ADPP7
SCHEMBL3601822 0.75 SIGMAR1 (0.56) SIGMAR1MEN1KMT2A
SCHEMBL15356103 0.75 ACHE (0.61) MAOBSIGMAR1MEN1KMT2AACHE
SCHEMBL3635817 0.74 KMT2A (0.56) MAOBSIGMAR1MEN1KMT2ABCHE
SCHEMBL803672 0.74 SIGMAR1 (0.59) SIGMAR1OPRM1ACHEBCHECHRM2
Hydrochloric Acid SCHEMBL8482827 0.74 ACHE (0.59) MAOBSIGMAR1MEN1KMT2AACHE
Hydrochloric Acid SCHEMBL8484724 0.74 ACHE (0.59) MAOBSIGMAR1MEN1KMT2AACHE
SCHEMBL9884890 0.73 KMT2A (0.50) MAOBSIGMAR1MEN1KMT2AACHE

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 MAOB 92/4885SIGMAR1 377/4885MEN1 596/4885
US-20040214819-A1 Modified amino acids, pharmaceuticals containing these compounds and method for their production PTMS, SRMS, OPRM1 MAOB 67/4885SIGMAR1 429/4885MEN1 790/4885
US-20030069231-A1 Modified aminoacids, pharmaceuticals containing these compounds and method for their production SLC1A5, NEFM, SRMS MAOB 64/4885SIGMAR1 421/4885MEN1 984/4885
US-20010036946-A1 Modified amino acids, pharmaceuticals containing these compounds and method for their production PTMS, SRMS, OPRM1 MAOB 67/4885SIGMAR1 429/4885MEN1 790/4885

“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.