SCHEMBL5881075

SCHEMBL5881075

COc1ccc(CC(=O)NC2(C(=O)N[C@H](C(N)=O)C(C)C)CCc3[nH]c4ccccc4c3C2)cc1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NMBR P28336 10/20 0.43
TACR1 P25103 2/20 0.43
PARP14 Q460N5 1/20 0.40
TRPV1 Q8NER1 1/20 0.39
GP6 Q9HCN6 3/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
KMT2A Q03164 1/20 0.38
ALDH1A1 P00352 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL5880972 0.91 NMBR (0.45) NMBRTACR1PARP14MEN1KMT2A
SCHEMBL5881086 0.90 TACR1 (0.44) NMBRTACR1CYP2C9CYP2C19
SCHEMBL5881092 0.90 NMBR (0.44) NMBRTACR1PARP14TRPV1MEN1
SCHEMBL5881130 0.89 TACR1 (0.47) NMBRTACR1PARP14TRPV1GP6
SCHEMBL5881261 0.89 TACR1 (0.43) NMBRTACR1
SCHEMBL5881070 0.85 TACR1 (0.42) NMBRTACR1TRPV1
SCHEMBL5881263 0.84 NMBR (0.44) NMBRTACR1
SCHEMBL5881052 0.84 NMBR (0.42) NMBRTACR1KMT2A
SCHEMBL5881144 0.78 NMBR (0.42) NMBRTACR1
SCHEMBL5881137 0.77 TACR1 (0.41) NMBRTACR1KMT2AALDH1A1

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-7122570-B2 Tetrahydrocarbazol derivatives as ligands for G-protein-coupled receptors (GPCR) ZENTARIS AG (DE) 2006-10-17 US claimed
US-20030232873-A1 Tetrahydrocarbazol derivatives as ligands for G-protein-coupled receptors (GPCR) ZENTARIS AG (DE) 2003-12-18 US claimed
US-7122570-B2 Tetrahydrocarbazol derivatives as ligands for G-protein-coupled receptors (GPCR) ZENTARIS AG (DE) 2006-10-17 US disclosed
US-20030232873-A1 Tetrahydrocarbazol derivatives as ligands for G-protein-coupled receptors (GPCR) ZENTARIS AG (DE) 2003-12-18 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-20030232873-A1 Tetrahydrocarbazol derivatives as ligands for G-protein-coupled receptors (GPCR) GPR4, GPR88, GPR35 NMBR 287/4885TACR1 300/4885PARP14 1220/4885

“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.