SCHEMBL19652107

SCHEMBL19652107

CCCN1CCC(N(C(=O)C(C)C)C2CC2)CC1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 4/20 0.39
UBE2M P61081 3/20 0.38
DCUN1D1 Q96GG9 3/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
OPRM1 P35372 3/20 0.37
TLR9 Q9NR96 1/20 0.36
TLR8 Q9NR97 1/20 0.36
TLR7 Q9NYK1 1/20 0.36
EPHX1 P07099 1/20 0.36
EPHX2 P34913 1/20 0.36
MEN1 O00255 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
OPRL1 P41146 1/20 0.35
HTR2A P28223 1/20 0.35

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
SCHEMBL23696343 0.84 CCR5 (0.51) CCR5UBE2MDCUN1D1SMN1; SMN2
SCHEMBL26170593 0.83 CACNA1I (0.39) CCR5UBE2MDCUN1D1OPRM1OPRL1
SCHEMBL19658644 0.81 SMN1; SMN2 (0.41) UBE2MDCUN1D1SMN1; SMN2OPRM1EPHX1
SCHEMBL19652116 0.81 KDM4E (0.36) CCR5KMT2AL3MBTL1HTR2A
SCHEMBL19658640 0.75 EPHX1 (0.37) UBE2MDCUN1D1SMN1; SMN2OPRM1TLR9
SCHEMBL22906377 0.75 EPHX1 (0.39) CCR5SMN1; SMN2OPRM1EPHX1EPHX2
SCHEMBL19702056 0.75 ALDH1A1 (0.41) EPHX1EPHX2L3MBTL1
SCHEMBL25570811 0.74 CCR5 (0.43) CCR5UBE2MDCUN1D1OPRM1
SCHEMBL25568011 0.74 CCR5 (0.48) CCR5UBE2MDCUN1D1
SCHEMBL23986483 0.73 CCR5 (0.46) CCR5UBE2MDCUN1D1SMN1; SMN2OPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170340604-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2017-11-30 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-20170340604-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF BRD4, BRDT, BRD3 CCR5 1178/4885UBE2M 3401/4885DCUN1D1 2327/4885

“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.