SCHEMBL702033

SCHEMBL702033

O=C(O)C=CC1(c2cccc(C(F)(F)F)c2)CCN(Cc2ccccc2)CC1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 6/20 0.56
CHRM4 P08173 1/20 0.52
DRD4 P21917 1/20 0.51
USP2 O75604 1/20 0.50
OPRM1 P35372 4/20 0.49
SIGMAR1 Q99720 3/20 0.49
LMNA P02545 2/20 0.48
HTT P42858 2/20 0.48
GAA P10253 3/20 0.48
KDM4E B2RXH2 2/20 0.48
ALDH1A1 P00352 2/20 0.48
KMT2A Q03164 1/20 0.48
FAAH O00519 1/20 0.47
UBE2M P61081 1/20 0.47
DCUN1D1 Q96GG9 1/20 0.47
POLB P06746 1/20 0.46
OPRD1 P41143 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
SCHEMBL702032 1.00 OPRL1 (0.56) OPRL1CHRM4DRD4USP2OPRM1
SCHEMBL3441693 0.88 OPRL1 (0.51) OPRL1CHRM4DRD4USP2OPRM1
SCHEMBL3441694 0.88 OPRL1 (0.51) OPRL1CHRM4DRD4USP2OPRM1
SCHEMBL701015 0.85 OPRL1 (0.59) OPRL1CHRM4DRD4USP2OPRM1
SCHEMBL3126554 0.81 OPRL1 (0.62) OPRL1CHRM4DRD4USP2OPRM1
SCHEMBL3136902 0.79 OPRL1 (0.86) OPRL1CHRM4DRD4OPRM1LMNA
SCHEMBL3124201 0.79 OPRL1 (0.60) OPRL1CHRM4DRD4USP2OPRM1
SCHEMBL12473468 0.78 ALDH1A1 (0.43) OPRL1OPRM1LMNAKDM4EALDH1A1
Hydrochloric Acid SCHEMBL4813917 0.78 OPRL1 (0.84) OPRL1CHRM4DRD4OPRM1LMNA
SCHEMBL699951 0.78 OPRL1 (0.63) OPRL1CHRM4DRD4USP2OPRM1

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 2 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
US-20090264407-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2009-10-22 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-20090264407-A1 Substituted Sulfonamide Compounds CNR1, SUCNR1, OPRL1 OPRL1 3/4885CHRM4 997/4885DRD4 3254/4885

“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.