SCHEMBL5881086

SCHEMBL5881086

CC(C)[C@H](NC(=O)[C@@]1(NC(=O)Cc2ccc(F)cc2)CCc2[nH]c3ccccc3c2C1)C(N)=O

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 1/20 0.44
NMBR P28336 13/20 0.44
CNR1 P21554 1/20 0.40
TRPM8 Q7Z2W7 1/20 0.39
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
ELANE P08246 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
SCHEMBL5880972 0.92 NMBR (0.45) TACR1NMBR
SCHEMBL5881092 0.92 NMBR (0.44) TACR1NMBRCYP3A4CYP2D6CYP2C9
SCHEMBL5881075 0.90 NMBR (0.43) TACR1NMBRCYP2C9CYP2C19
SCHEMBL5881261 0.88 TACR1 (0.43) TACR1NMBR
SCHEMBL5881070 0.87 TACR1 (0.42) TACR1NMBR
SCHEMBL5881052 0.86 NMBR (0.42) TACR1NMBR
SCHEMBL5881263 0.86 NMBR (0.44) TACR1NMBRELANE
SCHEMBL5881137 0.78 TACR1 (0.41) TACR1NMBR
SCHEMBL5881130 0.78 TACR1 (0.47) TACR1NMBRCYP2C9CYP2C19
SCHEMBL5881179 0.77 NMBR (0.41) TACR1NMBR

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 3 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-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 300/4885NMBR 287/4885CNR1 33/4885

“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.