SCHEMBL3698245

SCHEMBL3698245

CCNC(=S)NC[C@@H](N)C(C)CC

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.50
CYP3A4 P08684 1/20 0.50
KDM4A O75164 1/20 0.31
GAA P10253 1/20 0.30
MAPT P10636 1/20 0.30
HTT P42858 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
SCHEMBL3706886 0.77 EPHX1 (0.37) ALDH1A1MAPT
SCHEMBL11598205 0.74 ALDH1A1 (0.65) ALDH1A1CYP3A4KDM4AGAAMAPT
SCHEMBL20529641 0.73 ALDH1A1 (0.62) ALDH1A1CYP3A4KDM4AGAAMAPT
SCHEMBL20529642 0.73 ALDH1A1 (0.62) ALDH1A1CYP3A4KDM4AGAAMAPT
SCHEMBL3706916 0.72 MTNR1A (0.36) ALDH1A1
SCHEMBL80644 0.71
SCHEMBL11598222 0.68 ALDH1A1 (0.54) ALDH1A1CYP3A4KDM4AGAAMAPT
SCHEMBL13675435 0.68
SCHEMBL13673858 0.66
SCHEMBL8167869 0.64 ALDH1A1 (0.55) ALDH1A1CYP3A4KDM4AGAAMAPT

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 5 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 claimed
US-20090170783-A1 NOVEL TETRAHYDROCARBAZOLE DERIVATIVES AS LIGANDS OF G-PROTEIN COUPLED RECEPTORS AETERNA ZENTARIS GMBH (DE) 2009-07-02 US 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
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 ALDH1A1 1733/4885CYP3A4 1753/4885KDM4A 4268/4885
US-20120122763-A1 NOVEL TETRAHYDROCARBAZOLE DERIVATIVES AS LIGANDS OF G-PROTEIN COUPLED RECEPTORS GPR88, GPR34, GPR27 ALDH1A1 1733/4885CYP3A4 1753/4885KDM4A 4268/4885

“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.