SCHEMBL3706925

SCHEMBL3706925

CCC(C)[C@H](N)C(=O)NCCn1ccnc1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
QPCT Q16769 2/20 0.43
ALDH1A1 P00352 1/20 0.43
TBXAS1 P24557 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
POLB P06746 1/20 0.41
LMNA P02545 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
SMYD3 Q9H7B4 1/20 0.41
EGLN3 Q9H6Z9 1/20 0.41
TLR2 O60603 1/20 0.41
NPC1 O15118 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL10448593 1.00 QPCT (0.43) QPCTALDH1A1TBXAS1L3MBTL1POLB
SCHEMBL3668830 0.84 QPCT (0.49) QPCTSMN1; SMN2KMT2A
SCHEMBL14271650 0.83 ALDH1A1 (0.50) QPCTALDH1A1TBXAS1L3MBTL1POLB
SCHEMBL13609286 0.82 GAA (0.52) QPCTALDH1A1L3MBTL1SMN1; SMN2EGLN3
SCHEMBL10311722 0.82 QPCT (0.50) QPCTALDH1A1TBXAS1L3MBTL1POLB
SCHEMBL3664283 0.77 QPCT (0.60) QPCTSMN1; SMN2KMT2A
SCHEMBL3662446 0.77 QPCT (0.60) QPCTSMN1; SMN2KMT2A
SCHEMBL10448592 0.76 AGTR2 (0.43) QPCTALDH1A1TBXAS1L3MBTL1POLB
SCHEMBL26305930 0.76 ALDH1A1 (0.45) QPCTALDH1A1TBXAS1L3MBTL1SMN1; SMN2
SCHEMBL3699910 0.75 ALDH1A1 (0.40) ALDH1A1POLBLMNAMEN1KMT2A

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-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 QPCT 2366/4885ALDH1A1 1733/4885TBXAS1 338/4885
US-20120122763-A1 NOVEL TETRAHYDROCARBAZOLE DERIVATIVES AS LIGANDS OF G-PROTEIN COUPLED RECEPTORS GPR88, GPR34, GPR27 QPCT 2366/4885ALDH1A1 1733/4885TBXAS1 338/4885

“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.