SCHEMBL5880943

SCHEMBL5880943

O=C(O)C1(CCCc2ccccc2)CCc2[nH]c3ccccc3c2C1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.44
BCHE P06276 1/20 0.44
SIGMAR1 Q99720 2/20 0.41
TACR1 P25103 1/20 0.40
GRIN2B Q13224 1/20 0.39
TAAR1 Q96RJ0 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
BAZ2B Q9UIF8 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
TRPV1 Q8NER1 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
SCHEMBL5880978 0.86 KMT2A (0.52) LMNAMAPTMEN1KMT2A
SCHEMBL5880988 0.85 ACHE (0.38) ACHEBCHESIGMAR1TACR1LMNA
SCHEMBL5880926 0.82 TACR1 (0.38) ACHEBCHESIGMAR1TACR1GRIN2B
SCHEMBL6609995 0.82 ACHE (0.43) ACHEBCHESIGMAR1TACR1GRIN2B
SCHEMBL5881173 0.81 CGAS (0.39) LMNAMAPTMEN1KMT2A
SCHEMBL5880992 0.76 ACHE (0.38) ACHEBCHESIGMAR1TACR1GRIN2B
SCHEMBL5880983 0.76 ACHE (0.38) ACHEBCHESIGMAR1TACR1GRIN2B
SCHEMBL11838605 0.76 LMNA (0.47) TACR1TAAR1LMNAMAPTBAZ2B
SCHEMBL5881018 0.75 TACR1 (0.40) ACHEBCHESIGMAR1TACR1LMNA
SCHEMBL5880987 0.75 TACR1 (0.40) ACHEBCHESIGMAR1TACR1LMNA

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 6 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
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 ACHE 4598/4885BCHE 2233/4885SIGMAR1 3547/4885

“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.