SCHEMBL5880987

SCHEMBL5880987

CCOC(=O)C=CC1(CCCc2ccccc2)CCc2[nH]c3ccccc3c2C1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 1/20 0.40
KDM4E B2RXH2 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
MAPK1 P28482 1/20 0.40
CYP2C19 P33261 1/20 0.40
HSD17B10 Q99714 1/20 0.40
KMT2A Q03164 3/20 0.38
ALDH1A1 P00352 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
BCHE P06276 1/20 0.37
ACHE P22303 1/20 0.37
MAPT P10636 2/20 0.37
MEN1 O00255 2/20 0.37
POLB P06746 1/20 0.37
PKM P14618 1/20 0.37
LMNA P02545 1/20 0.37
AURKA O14965 1/20 0.37
MAPK10 P53779 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
SCHEMBL5881013 1.00 TACR1 (0.40) TACR1KDM4ECYP1A2CYP2D6CYP2C9
SCHEMBL5881018 1.00 TACR1 (0.40) TACR1KDM4ECYP1A2CYP2D6CYP2C9
SCHEMBL5880983 0.81 ACHE (0.38) TACR1KMT2ABCHEACHEMAPT
SCHEMBL5880992 0.81 ACHE (0.38) TACR1KMT2ABCHEACHEMAPT
SCHEMBL5880978 0.81 KMT2A (0.52) KMT2AALDH1A1L3MBTL1MAPTMEN1
SCHEMBL6609995 0.75 ACHE (0.43) TACR1BCHEACHEMAPTLMNA
SCHEMBL5880943 0.75 ACHE (0.44) TACR1KMT2ABCHEACHEMAPT
SCHEMBL5880988 0.74 ACHE (0.38) TACR1KMT2AALDH1A1L3MBTL1BCHE
SCHEMBL5881133 0.72 ALDH1A1 (0.43) KMT2AALDH1A1L3MBTL1MAPTMEN1
SCHEMBL31514979 0.71 HTR2A (0.42) TACR1KDM4EALDH1A1MAPTLMNA

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
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
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 300/4885KDM4E 1611/4885CYP1A2 2436/4885

“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.