SCHEMBL1764932

SCHEMBL1764932

CNCC(Cc1ccccc1)NC

nearest known ligand 0.68

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.55
SIGMAR1 Q99720 2/20 0.55
SLC18A2 Q05940 1/20 0.55
OPRD1 P41143 2/20 0.51
OPRK1 P41145 2/20 0.51
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
OPRM1 P35372 1/20 0.49
CYP3A4 P08684 2/20 0.47
CYP2D6 P10635 1/20 0.47
SLC6A2 P23975 1/20 0.47
SLC6A4 P31645 1/20 0.47
SLC6A3 Q01959 1/20 0.47
KCNH2 Q12809 1/20 0.47
EPHX1 P07099 1/20 0.47
KDM4E B2RXH2 1/20 0.45
MAPT P10636 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
SCHEMBL1764927 1.00 TAAR1 (0.55) TAAR1SIGMAR1SLC18A2OPRD1OPRK1
SCHEMBL1697045 0.87 SIGMAR1 (0.64) TAAR1SIGMAR1SLC18A2OPRM1CYP2D6
SCHEMBL172645 0.81 SLC6A4 (0.61) TAAR1SIGMAR1SLC18A2SLC6A4EPHX1
SCHEMBL12289294 0.81 SLC6A4 (0.61) TAAR1SIGMAR1SLC18A2SLC6A4EPHX1
SCHEMBL9341390 0.81 SLC6A4 (0.61) TAAR1SIGMAR1SLC18A2SLC6A4EPHX1
SCHEMBL22364527 0.80 SLC6A2 (0.54) TAAR1SIGMAR1SLC18A2OPRD1OPRK1
SCHEMBL23157064 0.80 EPHX1 (0.58) TAAR1SIGMAR1SLC18A2OPRD1OPRK1
SCHEMBL2629129 0.79 SIGMAR1 (0.55) TAAR1SIGMAR1SLC18A2OPRM1SLC6A2
SCHEMBL21550512 0.79 TAAR1 (0.55) TAAR1SIGMAR1SLC18A2OPRD1OPRK1
SCHEMBL10062064 0.79 SIGMAR1 (0.55) TAAR1SIGMAR1SLC18A2OPRM1SLC6A2

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1390340-B1 COPPER-CATALYZED FORMATION OF CARBON-HETEROATOM AND CARBON-CARBON BONDS MASSACHUSETTS INST TECHNOLOGY (US) 2017-03-01 EP disclosed
EP-2504324-B1 SULTAM DERIVATIVES HOFFMANN LA ROCHE (CH) 2015-02-25 EP disclosed
US-8314250-B2 Sultam derivatives HOFFMANN-LA ROCHE INC. (US) 2012-11-20 US disclosed
EP-2504324-A1 SULTAM DERIVATIVES F. Hoffmann-La Roche AG (CH) 2012-10-03 EP disclosed
WO-2011064141-A1 SULTAM DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2011-06-03 WO disclosed
US-20110124686-A1 SULTAM DERIVATIVES ANDERSON KEVIN W 2011-05-26 US disclosed
US-4704464-A CHELATE COMPOUNDS ASTA-WERKE AKTIENGESELLSCHAFT CHEMISCHE FABRIK (DE) 1987-11-03 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 (1 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-20110124686-A1 SULTAM DERIVATIVES SULT1A1, SULT2A1, SULT1E1 TAAR1 2713/4885SIGMAR1 535/4885SLC18A2 1999/4885

“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.