SCHEMBL5880926

SCHEMBL5880926

CC(C)[C@@H](CO)NC(=O)C1(CCCc2ccccc2)CCc2[nH]c3ccccc3c2C1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 1/20 0.38
BCHE P06276 1/20 0.37
ACHE P22303 1/20 0.37
NMBR P28336 3/20 0.36
ESR1 P03372 1/20 0.36
ESR2 Q92731 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
ALDH1A1 P00352 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
KMT2A Q03164 1/20 0.35
GRIN2B Q13224 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
SCHEMBL5880943 0.82 ACHE (0.44) TACR1BCHEACHESIGMAR1KMT2A
SCHEMBL5880984 0.80 ACHE (0.40) TACR1BCHEACHESIGMAR1GRIN2B
SCHEMBL5880978 0.78 KMT2A (0.52) ALDH1A1L3MBTL1KMT2A
SCHEMBL5880988 0.77 ACHE (0.38) TACR1BCHEACHENMBRSIGMAR1
SCHEMBL5881006 0.74 ALDH1A1 (0.39) ALDH1A1L3MBTL1KMT2A
SCHEMBL5881132 0.72 NMBR (0.42) TACR1NMBR
SCHEMBL5881279 0.72 NMBR (0.42) TACR1NMBR
SCHEMBL5881058 0.72 NMBR (0.40) TACR1NMBRSIGMAR1
SCHEMBL5881213 0.72 NMBR (0.40) TACR1NMBRSIGMAR1
SCHEMBL6609995 0.72 ACHE (0.43) TACR1BCHEACHESIGMAR1GRIN2B

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 TACR1 300/4885BCHE 2233/4885ACHE 4598/4885

“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.