SCHEMBL3963276

SCHEMBL3963276

COc1ccccc1-c1cn(C2CCN(C(=O)OC(C)(C)C)CC2)c(=O)[nH]1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCG P05129 1/20 0.49
PRKCB P05771 1/20 0.49
PRKCA P17252 1/20 0.49
PRKCH P24723 1/20 0.49
PRKCE Q02156 1/20 0.49
PRKCD Q05655 1/20 0.49
HCAR1 Q9BXC0 1/20 0.46
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
GPR119 Q8TDV5 2/20 0.44
CTSD P07339 1/20 0.42
CTSE P14091 1/20 0.42
BACE1 P56817 1/20 0.42
ALDH1A1 P00352 2/20 0.42
HPGDS O60760 1/20 0.41
TGFBR1 P36897 1/20 0.41
TP53 P04637 1/20 0.41
STS P08842 1/20 0.41
CCNT1 O60563 2/20 0.41
CDK9 P50750 2/20 0.41

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
SCHEMBL2104155 0.85 DRD2 (0.56) PRKCGPRKCBPRKCAPRKCHPRKCE
SCHEMBL3964155 0.83 DRD2 (0.54) PRKCGPRKCBPRKCAPRKCHPRKCE
SCHEMBL14410227 0.83 DRD2 (0.44) MEN1KMT2AALDH1A1KDM4EMAPT
SCHEMBL3956627 0.81 HCAR1 (0.47) PRKCGPRKCBPRKCAPRKCHPRKCE
SCHEMBL3963952 0.81 ALDH1A1 (0.54) PRKCGPRKCBPRKCAPRKCHPRKCE
SCHEMBL14139075 0.80 HTR2C (0.46) PRKCGPRKCBPRKCAPRKCHPRKCE
Hydrochloric Acid SCHEMBL27693906 0.80 HTR2C (0.46) PRKCGPRKCBPRKCAPRKCHPRKCE
SCHEMBL3249934 0.80 GPR119 (0.51) PRKCGPRKCBPRKCAPRKCHPRKCE
SCHEMBL3956545 0.80 PRKCG (0.46) PRKCGPRKCBPRKCAPRKCHPRKCE
SCHEMBL3959613 0.80 ABL1 (0.53) PRKCGPRKCBPRKCAPRKCHPRKCE

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 PRKCG 3458/4885PRKCB 3678/4885PRKCA 3297/4885
US-20040214819-A1 Modified amino acids, pharmaceuticals containing these compounds and method for their production PTMS, SRMS, OPRM1 PRKCG 3458/4885PRKCB 3585/4885PRKCA 3217/4885
US-20030069231-A1 Modified aminoacids, pharmaceuticals containing these compounds and method for their production SLC1A5, NEFM, SRMS PRKCG 3510/4885PRKCB 3673/4885PRKCA 3325/4885
US-20010036946-A1 Modified amino acids, pharmaceuticals containing these compounds and method for their production PTMS, SRMS, OPRM1 PRKCG 3458/4885PRKCB 3585/4885PRKCA 3217/4885

“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.