SCHEMBL3964635

SCHEMBL3964635

O=C1NC(c2ccccc2)C(=O)N1C1CCN(Cc2ccccc2)CC1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 5/20 0.55
OPRL1 P41146 3/20 0.54
OPRM1 P35372 2/20 0.54
OPRK1 P41145 2/20 0.54
CHRM2 P08172 4/20 0.52
DRD2 P14416 6/20 0.51
DRD4 P21917 6/20 0.51
DRD3 P35462 6/20 0.51
ACHE P22303 2/20 0.48
CCR3 P51677 1/20 0.47

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
SCHEMBL3262861 0.83 CHRM3 (0.54) CHRM3OPRL1OPRM1OPRK1CHRM2
SCHEMBL13801356 0.80 LMNA (0.45) CHRM3OPRL1OPRM1OPRK1
SCHEMBL2212740 0.78 LMNA (0.43)
SCHEMBL3075361 0.77 OPRL1 (0.66) CHRM3OPRL1OPRM1OPRK1CHRM2
SCHEMBL3959455 0.77 LMNA (0.47)
SCHEMBL14410222 0.77 LMNA (0.46) OPRL1OPRM1OPRK1
SCHEMBL250673 0.76 ACHE (0.69) CHRM3OPRL1OPRM1OPRK1DRD2
Hydrochloric Acid SCHEMBL2208949 0.76 LMNA (0.46)
SCHEMBL3073412 0.75 OPRL1 (0.60) CHRM3OPRL1OPRM1OPRK1CHRM2
SCHEMBL13945986 0.75 CHRM3 (0.60) CHRM3OPRL1OPRM1OPRK1CHRM2

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 CHRM3 30/4885OPRL1 73/4885OPRM1 10/4885
US-20040214819-A1 Modified amino acids, pharmaceuticals containing these compounds and method for their production PTMS, SRMS, OPRM1 CHRM3 49/4885OPRL1 71/4885OPRM1 3/4885
US-20030069231-A1 Modified aminoacids, pharmaceuticals containing these compounds and method for their production SLC1A5, NEFM, SRMS CHRM3 46/4885OPRL1 116/4885OPRM1 6/4885
US-20010036946-A1 Modified amino acids, pharmaceuticals containing these compounds and method for their production PTMS, SRMS, OPRM1 CHRM3 49/4885OPRL1 71/4885OPRM1 3/4885

“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.