SCHEMBL3962648

SCHEMBL3962648

CC(C)(C)OC(=O)N1CCC(n2cc(-c3cccc(Cl)c3)[nH]c2=O)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STS P08842 2/20 0.48
DRD2 P14416 1/20 0.45
DRD4 P21917 1/20 0.45
DRD3 P35462 1/20 0.45
TNF P01375 3/20 0.44
LITAF Q99732 3/20 0.44
HCAR1 Q9BXC0 1/20 0.44
TP53 P04637 1/20 0.44
POLB P06746 1/20 0.44
PRKCG P05129 1/20 0.44
PRKCB P05771 1/20 0.44
PRKCA P17252 1/20 0.44
PRKCH P24723 1/20 0.44
PRKCE Q02156 1/20 0.44
PRKCD Q05655 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
HPGDS O60760 1/20 0.42
MAPT P10636 2/20 0.42
RXFP1 Q9HBX9 1/20 0.42
CALCRL Q16602 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
SCHEMBL3968550 0.89 EGFR (0.51) DRD2DRD4DRD3HCAR1PRKCG
SCHEMBL3959613 0.88 ABL1 (0.53) STSDRD2DRD4DRD3HCAR1
SCHEMBL3964847 0.88 HCAR1 (0.44) DRD2DRD4DRD3HCAR1PRKCG
SCHEMBL2104155 0.88 DRD2 (0.56) DRD2DRD4DRD3HCAR1PRKCG
SCHEMBL3965386 0.87 HCAR1 (0.45) STSDRD2DRD4DRD3HCAR1
SCHEMBL3960277 0.87 CALCRL (0.43) STSDRD2DRD4DRD3HCAR1
SCHEMBL3964155 0.86 DRD2 (0.54) DRD2DRD4DRD3HCAR1PRKCG
SCHEMBL3962602 0.85 MAPT (0.44) DRD2DRD4DRD3HCAR1PRKCG
SCHEMBL3956545 0.84 PRKCG (0.46) DRD2DRD4DRD3HCAR1PRKCG
SCHEMBL5374613 0.83 CALCRL (0.41) STSDRD2DRD4DRD3HCAR1

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 STS 4145/4885DRD2 187/4885DRD4 139/4885
US-20040214819-A1 Modified amino acids, pharmaceuticals containing these compounds and method for their production PTMS, SRMS, OPRM1 STS 4102/4885DRD2 198/4885DRD4 125/4885
US-20030069231-A1 Modified aminoacids, pharmaceuticals containing these compounds and method for their production SLC1A5, NEFM, SRMS STS 4168/4885DRD2 130/4885DRD4 86/4885
US-20010036946-A1 Modified amino acids, pharmaceuticals containing these compounds and method for their production PTMS, SRMS, OPRM1 STS 4102/4885DRD2 198/4885DRD4 125/4885

“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.