SCHEMBL703588

SCHEMBL703588

CCOC(=O)CCC1(c2cccc(F)c2)CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 1/20 0.46
LMNA P02545 2/20 0.45
GPR119 Q8TDV5 1/20 0.44
CCR5 P51681 10/20 0.43
OPRD1 P41143 1/20 0.43
MCHR1 Q99705 1/20 0.41
KCNH2 Q12809 2/20 0.41
ATM Q13315 1/20 0.41
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
TSHR P16473 1/20 0.40
CASP1 P29466 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
CYP3A4 P08684 1/20 0.39
GRM5 P41594 1/20 0.39

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
SCHEMBL700207 0.89 TACR1 (0.54) TACR1CCR5ATMALDH1A1HPGD
SCHEMBL700357 0.88 CCR5 (0.55) TACR1CCR5OPRD1MCHR1ATM
SCHEMBL11919549 0.88 TACR1 (0.53) TACR1GPR119CCR5OPRD1ATM
SCHEMBL701270 0.84 TACR1 (0.49) TACR1GPR119CCR5OPRD1KCNH2
SCHEMBL701407 0.83 TACR1 (0.53) TACR1LMNAGPR119CCR5OPRD1
SCHEMBL14272924 0.82 CCR5 (0.47) TACR1CCR5ALDH1A1MAPTHTT
SCHEMBL702191 0.82 NAMPT (0.46) TACR1GPR119CCR5OPRD1
SCHEMBL2469527 0.82 TACR1 (0.52) TACR1LMNAGPR119CCR5OPRD1
SCHEMBL10282909 0.82 CCR5 (0.44) TACR1LMNAGPR119CCR5OPRD1
SCHEMBL4551945 0.81 TACR1 (0.53) TACR1GPR119CCR5OPRD1ATM

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-8124624-B2 Substituted sulfonamide compounds GRUENENTHAL GMBH (DE) 2012-02-28 US disclosed
US-8124624-B2 Substituted sulfonamide compounds GRUENENTHAL GMBH (DE) 2012-02-28 US disclosed
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
US-20090264407-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2009-10-22 US 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 TACR1 18/4885LMNA 2119/4885GPR119 98/4885

“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.