SCHEMBL2139793

SCHEMBL2139793

C[C@@H]([CH]CNC(=S)NCC1CCOCC1)CC(N)=O

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.35
TDP1 Q9NUW8 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
CTSD P07339 1/20 0.30
NAMPT P43490 1/20 0.30
CCR2 P41597 1/20 0.30
HTR4 Q13639 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
SCHEMBL2141436 0.88 EPHX2 (0.41) EPHX2TDP1NPC1RAB9ACTSD
SCHEMBL3634527 0.84 EPHX2 (0.34) EPHX2TDP1NPC1RAB9ACTSD
SCHEMBL2142404 0.81 CTSD (0.40) EPHX2CTSDNAMPT
SCHEMBL2141819 0.81 TDP1 (0.36) EPHX2TDP1NPC1RAB9ACTSD
SCHEMBL2139218 0.81 TDP1 (0.36) EPHX2TDP1NPC1RAB9ACTSD
SCHEMBL2142963 0.78 TDP1 (0.38) EPHX2TDP1NPC1RAB9ACTSD
SCHEMBL2139379 0.78 KMT2A (0.38) KMT2ACTSDNAMPT
SCHEMBL2142635 0.78 PRMT3 (0.35) EPHX2CTSDNAMPT
SCHEMBL2142943 0.77 TDP1 (0.37) EPHX2TDP1NPC1RAB9ACTSD
SCHEMBL2139278 0.76 EPHX1 (0.38) EPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-8148546-B2 Tetrahydrocarbazole derivatives as ligands of G-protein coupled receptors AETERNA ZENTARIS GMBH (DE) 2012-04-03 US disclosed
US-20090170783-A1 NOVEL TETRAHYDROCARBAZOLE DERIVATIVES AS LIGANDS OF G-PROTEIN COUPLED RECEPTORS AETERNA ZENTARIS GMBH (DE) 2009-07-02 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 (2 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 EPHX2 1798/4885TDP1 4250/4885MEN1 4290/4885
US-20120122763-A1 NOVEL TETRAHYDROCARBAZOLE DERIVATIVES AS LIGANDS OF G-PROTEIN COUPLED RECEPTORS GPR88, GPR34, GPR27 EPHX2 1798/4885TDP1 4250/4885MEN1 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.