SCHEMBL4180771

SCHEMBL4180771

CC[C@H](C)[C@H](NC(=O)c1cc2ccccc2s1)C(=O)NCC1CN(S(=O)(=O)c2ccc(Cl)cc2)CCO1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 2/20 0.47
NPY5R Q15761 2/20 0.42
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
GAA P10253 1/20 0.41
TSHR P16473 1/20 0.41
UTS2R Q9UKP6 1/20 0.41
POLB P06746 1/20 0.39
TRPV4 Q9HBA0 2/20 0.39
OPRM1 P35372 1/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
NAMPT P43490 1/20 0.37
CTSK P43235 1/20 0.37
LMNA P02545 1/20 0.37
RAB9A P51151 1/20 0.37
CTSB P07858 1/20 0.37
CTSS P25774 1/20 0.37
DRD2 P14416 1/20 0.37
DRD3 P35462 1/20 0.37

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
SCHEMBL4183247 0.94 GAA (0.41) CCR1NPY5RKMT2AGAATSHR
SCHEMBL4180985 0.91 TRPV4 (0.46) CCR1NPY5RKMT2AMEN1UTS2R
SCHEMBL4181435 0.91 CCR1 (0.46) CCR1NPY5RKMT2AMEN1GAA
SCHEMBL4178416 0.88 UTS2R (0.51) CCR1NPY5RKMT2AMEN1UTS2R
SCHEMBL4175710 0.87 CTSK (0.44) CCR1NPY5RKMT2AMEN1UTS2R
SCHEMBL4178278 0.85 CTSB (0.40) CCR1GAATSHRUTS2RCTSK
SCHEMBL4188403 0.85 MAPK1 (0.49) CCR1NPY5RKMT2AMEN1UTS2R
SCHEMBL4182779 0.84 CCR1 (0.49) CCR1KMT2AMEN1GAATSHR
SCHEMBL5482788 0.84 KMT2A (0.44) CCR1NPY5RKMT2AMEN1UTS2R
SCHEMBL4194752 0.82 CTSK (0.51) UTS2RCTSKRAB9ACTSBCTSS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090124619-A1 NOVEL COMPOUNDS SMITHKLINE BEECHAM CORPORATION 2009-05-14 US claimed
EP-1869026-A1 NOVEL COMPOUNDS SmithKline Beecham Corporation (US) 2007-12-26 EP claimed
WO-2006105475-A1 NOVEL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2006-10-05 WO claimed
US-20090124619-A1 NOVEL COMPOUNDS SMITHKLINE BEECHAM CORPORATION 2009-05-14 US disclosed
EP-1869026-A1 NOVEL COMPOUNDS SmithKline Beecham Corporation (US) 2007-12-26 EP disclosed
WO-2006105475-A1 NOVEL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2006-10-05 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-20090124619-A1 NOVEL COMPOUNDS TRPV4, TRPC4, TRPV1 CCR1 283/4885NPY5R 431/4885KMT2A 3870/4885

“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.