SCHEMBL5881088

SCHEMBL5881088

COC(=O)C1(NC(C)=O)CCc2[nH]c3ccccc3c2C1

nearest known ligand 0.66

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 1/20 0.66
MAPT P10636 2/20 0.44
LMNA P02545 1/20 0.44
BAZ2B Q9UIF8 1/20 0.44
NMBR P28336 12/20 0.44
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
CYP1A2 P05177 1/20 0.43
GAA P10253 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
HPGD P15428 1/20 0.43
ALOX15 P16050 1/20 0.43
CYP2C19 P33261 1/20 0.43
HSD17B10 Q99714 1/20 0.43
TRPV1 Q8NER1 1/20 0.39

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
SCHEMBL5880965 0.88 TACR1 (0.60) TACR1MAPTLMNABAZ2BNMBR
SCHEMBL5881165 0.81 TACR1 (0.52) TACR1NMBRKDM4EALDH1A1HPGD
SCHEMBL6609382 0.79 TACR1 (0.51) TACR1MAPTLMNABAZ2BNMBR
SCHEMBL5880946 0.78 TACR1 (0.45) TACR1MAPTNMBRKDM4EALDH1A1
SCHEMBL14003981 0.78 TACR1 (0.52) TACR1MAPTLMNABAZ2BNMBR
SCHEMBL5881032 0.76 TACR1 (0.51) TACR1MAPTLMNABAZ2BNMBR
SCHEMBL5881130 0.73 TACR1 (0.47) TACR1MAPTLMNANMBRKDM4E
SCHEMBL17999310 0.73 TACR1 (0.43) TACR1LMNABAZ2BNMBR
SCHEMBL17999311 0.73 TACR1 (0.43) TACR1LMNABAZ2BNMBR
SCHEMBL9476489 0.72 KDM4E (0.50) MAPTLMNABAZ2BKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1453803-A2 TETRAHYDROCARBOZOLE DERIVATIVES AS LIGANDS FOR G-PROTEIN COUPLED RECEPTORS (GPCR) Zentaris GmbH (DE) 2004-09-08 EP claimed
US-20030232873-A1 Tetrahydrocarbazol derivatives as ligands for G-protein-coupled receptors (GPCR) ZENTARIS AG (DE) 2003-12-18 US claimed
WO-2003051837-A2 TETRAHYDROCARBOZOLE DERIVATIVES AS LIGANDS FOR G-PROTEIN COUPLED RECEPTORS (GPCR) ZENTARIS GMBH (DE) 2003-06-26 WO claimed
US-7122570-B2 Tetrahydrocarbazol derivatives as ligands for G-protein-coupled receptors (GPCR) ZENTARIS AG (DE) 2006-10-17 US disclosed
EP-1453803-A2 TETRAHYDROCARBOZOLE DERIVATIVES AS LIGANDS FOR G-PROTEIN COUPLED RECEPTORS (GPCR) Zentaris GmbH (DE) 2004-09-08 EP disclosed
US-20030232873-A1 Tetrahydrocarbazol derivatives as ligands for G-protein-coupled receptors (GPCR) ZENTARIS AG (DE) 2003-12-18 US disclosed
WO-2003051837-A2 TETRAHYDROCARBOZOLE DERIVATIVES AS LIGANDS FOR G-PROTEIN COUPLED RECEPTORS (GPCR) ZENTARIS GMBH (DE) 2003-06-26 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-20030232873-A1 Tetrahydrocarbazol derivatives as ligands for G-protein-coupled receptors (GPCR) GPR4, GPR88, GPR35 TACR1 300/4885MAPT 2593/4885LMNA 4253/4885

“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.