SCHEMBL700901

SCHEMBL700901

O=C(O)N1CCC(CCCN2CCCC2)(c2cccc(C(F)(F)F)c2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 5/20 0.49
ABCB11 O95342 1/20 0.48
TP53 P04637 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
PKM P14618 1/20 0.48
TSHR P16473 1/20 0.48
MAPK1 P28482 1/20 0.48
THPO P40225 1/20 0.48
MTOR P42345 1/20 0.48
EBP Q15125 1/20 0.48
SIGMAR1 Q99720 1/20 0.48
KDM4E B2RXH2 1/20 0.47
PMP22 Q01453 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
TACR1 P25103 1/20 0.46
OPRL1 P41146 4/20 0.45
OPRD1 P41143 1/20 0.45
EPHX2 P34913 1/20 0.45
SLC6A4 P31645 3/20 0.44

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
SCHEMBL10246597 0.86 TACR1 (0.54) OPRM1ABCB11TP53CYP3A4CYP2D6
SCHEMBL3594500 0.82 OPRM1 (0.48) OPRM1CYP3A4TACR1OPRL1OPRD1
SCHEMBL3132000 0.81 SLC6A4 (0.64) OPRM1CYP3A4TACR1OPRL1OPRD1
SCHEMBL3441476 0.80 OPRM1 (0.48) OPRM1ABCB11TP53CYP3A4CYP2D6
SCHEMBL3136572 0.78 SLC6A4 (0.66) OPRM1TACR1OPRL1OPRD1EPHX2
SCHEMBL701128 0.77 MEN1 (0.45) PKMKDM4EEPHX2MEN1KMT2A
SCHEMBL4813147 0.76 TACR1 (0.53) OPRM1TACR1OPRL1EPHX2SLC6A4
SCHEMBL2925749 0.75 OPRM1 (0.63) OPRM1ABCB11TP53CYP3A4CYP2D6
SCHEMBL2931546 0.74 OPRM1 (0.47) OPRM1CYP3A4OPRL1OPRD1SLC6A4
SCHEMBL5726893 0.74 AKR1C3 (0.54) OPRM1OPRL1OPRD1CCR2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8124624-B2 Substituted sulfonamide compounds GRUENENTHAL GMBH (DE) 2012-02-28 US disclosed
EP-2262791-A2 SUBSTITUTED SULFONAMIDE DERIVATIVES Grünenthal GmbH (DE) 2010-12-22 EP disclosed
US-20090264407-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2009-10-22 US disclosed
WO-2009124734-A2 SUBSTITUTED SULFONAMIDE DERIVATIVES Grünenthal GmbH (DE) 2009-10-15 WO 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-20090264407-A1 Substituted Sulfonamide Compounds CNR1, SUCNR1, OPRL1 OPRM1 20/4885ABCB11 370/4885TP53 4629/4885

“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.