SCHEMBL3634366

SCHEMBL3634366

CCN(CC)CCNC(=O)CN

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP3A4 P08684 2/20 0.50
ALDH1A1 P00352 4/20 0.49
LMNA P02545 2/20 0.49
SLC22A2 O15244 1/20 0.49
SLC22A1 O15245 1/20 0.49
TSHR P16473 1/20 0.49
ACHE P22303 1/20 0.49
MAPK1 P28482 1/20 0.49
CYP2C19 P33261 1/20 0.49
BLM P54132 2/20 0.47
PMP22 Q01453 1/20 0.47
KDM4E B2RXH2 3/20 0.46
HPGD P15428 1/20 0.46
KMT2A Q03164 2/20 0.45
NFKB1 P19838 1/20 0.41
KCNH2 Q12809 1/20 0.41
POLB P06746 2/20 0.41
THRB P10828 1/20 0.41

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
SCHEMBL23562968 0.87 CA2 (0.39) CYP1A2CYP2D6CYP3A4ALDH1A1LMNA
Hydrochloric Acid SCHEMBL20509033 0.85 CYP3A4 (0.39) CYP1A2CYP2D6CYP3A4ALDH1A1LMNA
SCHEMBL3550590 0.84 GAA (0.49) CYP1A2CYP2D6CYP3A4ALDH1A1LMNA
SCHEMBL3479943 0.83 CYP1A2 (0.47) CYP1A2CYP2D6CYP3A4ALDH1A1LMNA
SCHEMBL474196 0.83 KMT2A (0.56) CYP1A2CYP2D6CYP3A4ALDH1A1LMNA
SCHEMBL4577893 0.81 CYP1A2 (0.49) CYP1A2CYP2D6CYP3A4ALDH1A1LMNA
SCHEMBL11028511 0.81 CYP1A2 (0.49) CYP1A2CYP2D6CYP3A4ALDH1A1LMNA
SCHEMBL20249044 0.81 CYP1A2 (0.49) CYP1A2CYP2D6CYP3A4ALDH1A1LMNA
SCHEMBL4577891 0.81 CYP1A2 (0.49) CYP1A2CYP2D6CYP3A4ALDH1A1LMNA
SCHEMBL15468358 0.79 CASP2 (0.53) CYP1A2CYP2D6CYP3A4ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2150558-A1 NOVEL TETRAHYDROCARBAZOLE DERIVATIVES AS LIGANDS OF G-PROTEIN COUPLED RECEPTORS AEterna Zentaris GmbH (DE) 2010-02-10 EP claimed
EP-2131854-A1 USE OF LHRH ANTAGONISTS FOR THE TREATMENT OF LOWER URINARY TRACT SYMPTOMS, IN PARTICULAR OVERACTIVE BLADDER AND/OR DETRUSOR OVERACTIVITY Aeterna Zentaris Gmbh (DE) 2009-12-16 EP claimed
US-20090170783-A1 NOVEL TETRAHYDROCARBAZOLE DERIVATIVES AS LIGANDS OF G-PROTEIN COUPLED RECEPTORS AETERNA ZENTARIS GMBH (DE) 2009-07-02 US claimed
US-20090075937-A1 LHRH ANTAGONISTS FOR THE TREATMENT OF LOWER URINARY TRACT SYMPTOMS AETERNA ZENTARIS GMBH (DE) 2009-03-19 US claimed
WO-2008132153-A1 NOVEL TETRAHYDROCARBAZOLE DERIVATIVES AS LIGANDS OF G-PROTEIN COUPLED RECEPTORS ÆTERNA ZENTARIS GMBH (DE) 2008-11-06 WO claimed
EP-1988098-A1 Novel Tetrahydrocarbazole Derivatives as Ligands of G-protein Coupled Receptors AEterna Zentaris GmbH (DE) 2008-11-05 EP claimed
WO-2008107446-A1 USE OF LHRH ANTAGONISTS FOR THE TREATMENT OF LOWER URINARY TRACT SYMPTOMS, IN PARTICULAR OVERACTIVE BLADDER AND/OR DETRUSOR OVERACTIVITY ÆTERNA ZENTARIS GMBH (DE) 2008-09-12 WO claimed
US-8541462-B2 Tetrahydrocarbazole derivatives as ligands of G-protein coupled receptors AETERNA ZENTARIS GMBH (DE) 2013-09-24 US disclosed
US-20120122763-A1 NOVEL TETRAHYDROCARBAZOLE DERIVATIVES AS LIGANDS OF G-PROTEIN COUPLED RECEPTORS AETERNA ZENTARIS GMBH (DE) 2012-05-17 US disclosed
EP-2150558-A1 NOVEL TETRAHYDROCARBAZOLE DERIVATIVES AS LIGANDS OF G-PROTEIN COUPLED RECEPTORS AEterna Zentaris GmbH (DE) 2010-02-10 EP disclosed
US-20090170783-A1 NOVEL TETRAHYDROCARBAZOLE DERIVATIVES AS LIGANDS OF G-PROTEIN COUPLED RECEPTORS AETERNA ZENTARIS GMBH (DE) 2009-07-02 US disclosed
US-20090075937-A1 LHRH ANTAGONISTS FOR THE TREATMENT OF LOWER URINARY TRACT SYMPTOMS AETERNA ZENTARIS GMBH (DE) 2009-03-19 US disclosed
WO-2008132153-A1 NOVEL TETRAHYDROCARBAZOLE DERIVATIVES AS LIGANDS OF G-PROTEIN COUPLED RECEPTORS ÆTERNA ZENTARIS GMBH (DE) 2008-11-06 WO disclosed
EP-1988098-A1 Novel Tetrahydrocarbazole Derivatives as Ligands of G-protein Coupled Receptors AEterna Zentaris GmbH (DE) 2008-11-05 EP 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 (3 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-20090170783-A1 NOVEL TETRAHYDROCARBAZOLE DERIVATIVES AS LIGANDS OF G-PROTEIN COUPLED RECEPTORS GPR88, GPR34, GPR27 CYP1A2 1813/4885CYP2D6 2725/4885CYP3A4 1753/4885
US-20090075937-A1 LHRH ANTAGONISTS FOR THE TREATMENT OF LOWER URINARY TRACT SYMPTOMS LHCGR, GNRHR, FSHR CYP1A2 1245/4885CYP2D6 1797/4885CYP3A4 2808/4885
US-20120122763-A1 NOVEL TETRAHYDROCARBAZOLE DERIVATIVES AS LIGANDS OF G-PROTEIN COUPLED RECEPTORS GPR88, GPR34, GPR27 CYP1A2 1813/4885CYP2D6 2725/4885CYP3A4 1753/4885

“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.