SCHEMBL10246597

SCHEMBL10246597

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

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 3/20 0.54
CCR5 P51681 7/20 0.53
TP53 P04637 2/20 0.44
ABCB11 O95342 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
PKM P14618 1/20 0.44
TSHR P16473 1/20 0.44
MAPK1 P28482 1/20 0.44
THPO P40225 1/20 0.44
MTOR P42345 1/20 0.44
EBP Q15125 1/20 0.44
SIGMAR1 Q99720 1/20 0.44
RXFP1 Q9HBX9 1/20 0.43
OPRM1 P35372 3/20 0.43
OPRL1 P41146 2/20 0.43
KDM4E B2RXH2 1/20 0.43
PMP22 Q01453 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MAPT P10636 1/20 0.40

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
SCHEMBL702431 0.89 CCR5 (0.55) TACR1CCR5TP53LMNA
SCHEMBL702100 0.88 TACR1 (0.57) TACR1CCR5MAPTEPHX2
SCHEMBL701427 0.87 CCR5 (0.55) TACR1CCR5
SCHEMBL700901 0.86 OPRM1 (0.49) TACR1TP53ABCB11CYP3A4CYP2D6
SCHEMBL703109 0.84 TACR1 (0.61) TACR1CCR5TSHRRXFP1OPRM1
SCHEMBL702460 0.83 TACR1 (0.52) TACR1CCR5RXFP1
SCHEMBL4297453 0.83 TACR1 (0.49) TACR1CCR5TP53ABCB11CYP3A4
SCHEMBL4407248 0.82 TACR1 (0.62) TACR1CCR5TSHROPRM1OPRL1
SCHEMBL700207 0.81 TACR1 (0.54) TACR1CCR5SMN1; SMN2EPHX2
SCHEMBL700251 0.81 CCR5 (0.57) TACR1CCR5TP53LMNA

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
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
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 TACR1 18/4885CCR5 1218/4885TP53 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.