SCHEMBL3633388

SCHEMBL3633388

C[C@@H]([CH]C(=S)NCCn1cncn1)CC(N)=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGLN3 Q9H6Z9 1/20 0.38
LOXL2 Q9Y4K0 1/20 0.34
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
NAMPT P43490 2/20 0.34
FDPS P14324 1/20 0.33
FPR3 P25089 1/20 0.32
FPR2 P25090 1/20 0.32
MAPT P10636 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C19 P33261 1/20 0.32
USP2 O75604 1/20 0.32
TSHR P16473 1/20 0.32
HSD17B10 Q99714 1/20 0.32
PDGFRB P09619 1/20 0.32
FGFR1 P11362 1/20 0.32
KDR P35968 1/20 0.32
TLR8 Q9NR97 1/20 0.30

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
SCHEMBL3634220 0.93 EGLN3 (0.36) EGLN3MEN1KMT2AFDPSFPR3
SCHEMBL3634445 0.92 EGLN3 (0.35) EGLN3MEN1KMT2AFDPSFPR3
SCHEMBL3635587 0.81 THRB (0.37) KMT2ANAMPTFDPSTLR8TLR7
SCHEMBL3668828 0.79 QPCT (0.45) CYP1A2CYP3A4CYP2D6HSD17B10
SCHEMBL3664280 0.74 QPCT (0.55) CYP1A2CYP3A4CYP2D6HSD17B10
SCHEMBL3662444 0.74 QPCT (0.55) CYP1A2CYP3A4CYP2D6HSD17B10
SCHEMBL4517015 0.73 EGLN3 (0.44) EGLN3LOXL2MEN1KMT2ANAMPT
SCHEMBL19755640 0.72 EGLN3 (0.49) EGLN3LOXL2MEN1KMT2ANAMPT
SCHEMBL3629627 0.71 TSHR (0.48) MAPTTSHR
SCHEMBL3634039 0.71 SMN1; SMN2 (0.44) KMT2AHSD17B10

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 EGLN3 1748/4885LOXL2 1785/4885MEN1 4290/4885
US-20090075937-A1 LHRH ANTAGONISTS FOR THE TREATMENT OF LOWER URINARY TRACT SYMPTOMS LHCGR, GNRHR, FSHR EGLN3 287/4885LOXL2 1063/4885MEN1 1318/4885
US-20120122763-A1 NOVEL TETRAHYDROCARBAZOLE DERIVATIVES AS LIGANDS OF G-PROTEIN COUPLED RECEPTORS GPR88, GPR34, GPR27 EGLN3 1748/4885LOXL2 1785/4885MEN1 4290/4885

“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.