SCHEMBL3958334

SCHEMBL3958334

O=C1Nc2ccccc2S(=O)(=O)N1C1CCN(Cc2ccccc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 5/20 0.51
CHRM3 P20309 9/20 0.49
CHRM2 P08172 8/20 0.49
ACHE P22303 1/20 0.48
DRD2 P14416 3/20 0.48
DRD4 P21917 3/20 0.48
DRD3 P35462 3/20 0.48
OPRM1 P35372 2/20 0.47
OPRK1 P41145 2/20 0.47
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 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
SCHEMBL3958330 0.86 CHRM3 (0.48) OPRL1CHRM3CHRM2ACHEDRD2
SCHEMBL6245339 0.82 PLCG1 (0.50) OPRL1OPRM1
SCHEMBL13801308 0.79 PLCG1 (0.42) OPRL1OPRM1OPRK1
SCHEMBL3965374 0.77 PLCG1 (0.45) OPRL1
SCHEMBL14410198 0.77 OPRL1 (0.45) OPRL1OPRM1
SCHEMBL7747502 0.74 CHRM3 (0.53) OPRL1CHRM3CHRM2ACHEDRD2
SCHEMBL9046543 0.73 CHRM4 (0.70) OPRL1CHRM3CHRM2ACHEOPRM1
SCHEMBL17803176 0.72 OPRL1 (0.53) OPRL1CHRM3CHRM2ACHEDRD2
SCHEMBL2317295 0.72 CHRM4 (0.57) OPRL1CHRM3CHRM2ACHEDRD2
SCHEMBL31437068 0.72 CHRM3 (0.61) OPRL1CHRM3CHRM2DRD2DRD4

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 8 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-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 OPRL1 73/4885CHRM3 30/4885CHRM2 6/4885
US-20040214819-A1 Modified amino acids, pharmaceuticals containing these compounds and method for their production PTMS, SRMS, OPRM1 OPRL1 71/4885CHRM3 49/4885CHRM2 17/4885
US-20030069231-A1 Modified aminoacids, pharmaceuticals containing these compounds and method for their production SLC1A5, NEFM, SRMS OPRL1 116/4885CHRM3 46/4885CHRM2 20/4885
US-20010036946-A1 Modified amino acids, pharmaceuticals containing these compounds and method for their production PTMS, SRMS, OPRM1 OPRL1 71/4885CHRM3 49/4885CHRM2 17/4885

“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.