SCHEMBL4429641

SCHEMBL4429641

COC(=O)CC[C@H](NC(=O)c1ccc(C(c2ccccc2)c2ccccc2)cc1)C(=O)OC(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
C3AR1 Q16581 1/20 0.45
HDAC1 Q13547 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
ADAMTS4 O75173 1/20 0.43
ADAMTS5 Q9UNA0 1/20 0.43
ALDH1A1 P00352 4/20 0.42
CYP3A4 P08684 1/20 0.42
P2RY12 Q9H244 1/20 0.41
NPSR1 Q6W5P4 7/20 0.41
MAPT P10636 6/20 0.41
POLB P06746 4/20 0.41
RECQL P46063 3/20 0.41
MAPK1 P28482 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
MAPK14 Q16539 1/20 0.40
ROCK2 O75116 1/20 0.40
PAX8 Q06710 1/20 0.40
TDP1 Q9NUW8 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
SCHEMBL27772192 0.91 ADAMTS5 (0.52) C3AR1HDAC1HDAC8HDAC6ADAMTS4
SCHEMBL4428055 0.91 ADAMTS5 (0.52) C3AR1HDAC1HDAC8HDAC6ADAMTS4
SCHEMBL2247345 0.90 ADAMTS5 (0.53) ADAMTS4ADAMTS5ALDH1A1CYP3A4P2RY12
SCHEMBL14090969 0.82 NPSR1 (0.42) C3AR1HDAC1HDAC8HDAC6ADAMTS4
SCHEMBL27793117 0.82 C3AR1 (0.43) C3AR1HDAC1HDAC8HDAC6ALDH1A1
SCHEMBL27660160 0.79 ALOX5 (0.52) ALDH1A1MEN1KMT2AMAPK14TDP1
SCHEMBL27660162 0.79 ALOX5 (0.52) ALDH1A1MEN1KMT2AMAPK14TDP1
SCHEMBL27793135 0.79 CA1 (0.52) C3AR1ALDH1A1NPSR1MAPTPOLB
SCHEMBL9088136 0.79 ACE (0.42) P2RY12NPSR1MAPTPOLBTDP1
SCHEMBL27792991 0.78 ADAMTS5 (0.48) C3AR1HDAC1HDAC8HDAC6ADAMTS4

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
EP-2134678-A2 N-(5, 6, 7, 8-TETRAHYDRONAPHTHALEN-1-YL) UREA DERIVATIVES AND RELATED COMPOUNDS AS TRPV1 VANILLOID RECEPTOR ANTAGONISTS FOR THE TREATMENT OF PAIN Abbott Laboratories (US) 2009-12-23 EP disclosed
EP-2125739-A1 MODULATORS OF C3A RECEPTOR AND METHODS OF USE THEREOF ENCYSIVE PHARMACEUTICALS, INC. (US) 2009-12-02 EP disclosed
US-20080188528-A1 Modulators of C3a receptor and methods of use thereof ENCYSIVE PHARMACEUTICALS, INC. 2008-08-07 US disclosed
WO-2008079371-A1 MODULATORS OF C3A RECEPTOR AND METHODS OF USE THEREOF ENCYSIVE PHARMACEUTICALS, INC. (US) 2008-07-03 WO disclosed
WO-2008079683-A2 N- (5, 6, 7, 8-TETRAHYDRONAPHTHALEN-1-YL) UREA DERIVATIVES AND RELATED COMPOUNDS AS TRPV1 VANILLOID RECEPTOR ANTAGONISTS FOR THE TREATMENT OF PAIN ABBOTT LABORATORIES (US) 2008-07-03 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-20080188528-A1 Modulators of C3a receptor and methods of use thereof C3AR1, C5, C5AR1 C3AR1 1/4885HDAC1 4373/4885HDAC8 4246/4885

“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.