SCHEMBL3544836

SCHEMBL3544836

CC(C)C[C@H](NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@H](C)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O

nearest known ligand 0.66

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 13/20 0.66
CTSL P07711 3/20 0.63
CTSS P25774 3/20 0.63
CTSK P43235 3/20 0.63
CTSH P09668 1/20 0.63
RAMP3 O60896 1/20 0.61
CALCR P30988 1/20 0.61
NPY1R P25929 1/20 0.61
NPY2R P49146 1/20 0.61
NPY4R P50391 1/20 0.61
NPY5R Q15761 1/20 0.61
CXCL8 P10145 1/20 0.59

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
SCHEMBL29499679 1.00 CXCR4 (0.66) CXCR4CTSLCTSSCTSKCTSH
SCHEMBL29389088 0.98 CXCR4 (0.65) CXCR4CTSLCTSSCTSKCTSH
SCHEMBL29466602 0.88 NMBR (0.62) CXCR4NPY1RNPY2RNPY4RNPY5R
SCHEMBL30512640 0.88 CXCR4 (0.69) CXCR4CTSLCTSSCTSKCTSH
SCHEMBL31183030 0.87 NPY1R (0.67) CXCR4NPY1RNPY2RNPY4RNPY5R
SCHEMBL29378658 0.87 CXCR4 (0.69) CXCR4
SCHEMBL29379177 0.86 KISS1R (0.67) CXCR4
SCHEMBL31182897 0.86 CXCR4 (0.71) CXCR4RAMP3CALCRNPY1RNPY2R
SCHEMBL31011012 0.86 CXCR4 (0.68) CXCR4NPY1RNPY2RNPY4RNPY5R
SCHEMBL31246283 0.86 GIPR (0.66)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7727979-B2 Guanidine derivatives and their use as neuropeptide FF receptor antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2010-06-01 US disclosed
US-20060194788-A1 Guanidine derivatives and their use as neuropeptide ff receptor antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2006-08-31 US disclosed
CN-1761673-A guanidine derivatives and their use as neuropeptide FF receptor antagonists ACTELION PHARMACEUTICALS LTD (CH) 2006-04-19 CN disclosed
EP-1608662-A1 GUANIDINE DERIVATIVES AND USE THEREOF AS NEUROPEPTIDE FF RECEPTOR ANTAGONISTS Actelion Pharmaceuticals Ltd. (CH) 2005-12-28 EP disclosed
WO-2004083218-A1 GUANIDINE DERIVATIVES AND USE THEREOF AS NEUROPEPTIDE FF RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2004-09-30 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-20060194788-A1 Guanidine derivatives and their use as neuropeptide ff receptor antagonists NPFFR1, OGFR, NPFFR2 CXCR4 600/4885CTSL 3812/4885CTSS 2925/4885

“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.