SCHEMBL3696487

SCHEMBL3696487

C[C@@H]([CH]CNC(=O)NCc1ccncc1)CC(N)=O

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 14/20 0.47
HTT P42858 1/20 0.47
LMNA P02545 1/20 0.45
MAPT P10636 1/20 0.45
MAPK1 P28482 1/20 0.45
P2RX7 Q99572 1/20 0.43
ALDH1A1 P00352 1/20 0.43
CYP3A4 P08684 1/20 0.43
KDM4E B2RXH2 1/20 0.42

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
SCHEMBL2141957 0.88 KDM4E (0.47) NAMPTLMNAALDH1A1KDM4E
SCHEMBL3696984 0.88 CA9 (0.45) NAMPTLMNAMAPTMAPK1ALDH1A1
SCHEMBL3695374 0.84 MDM2 (0.47) NAMPTHTT
SCHEMBL2142581 0.83 MAPT (0.46) NAMPTLMNAMAPTMAPK1ALDH1A1
SCHEMBL2141942 0.81 ALDH1A1 (0.52) NAMPTHTTLMNAMAPTMAPK1
SCHEMBL3628457 0.78 MAPK1 (0.46) NAMPTHTTLMNAMAPTMAPK1
SCHEMBL21065527 0.75 HTT (0.68) NAMPTHTTMAPTP2RX7ALDH1A1
SCHEMBL3706885 0.74 ECE1 (0.32)
SCHEMBL24568690 0.71 NAMPT (0.66) NAMPTHTTLMNAMAPTMAPK1
SCHEMBL14500628 0.71 HTT (0.58) NAMPTHTTLMNAMAPTMAPK1

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 NAMPT 3234/4885HTT 4305/4885LMNA 3715/4885
US-20120122763-A1 NOVEL TETRAHYDROCARBAZOLE DERIVATIVES AS LIGANDS OF G-PROTEIN COUPLED RECEPTORS GPR88, GPR34, GPR27 NAMPT 3234/4885HTT 4305/4885LMNA 3715/4885

“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.