SCHEMBL3695374

SCHEMBL3695374

C[C@@H]([CH]CNC(=O)Nc1ccncc1)CC(N)=O

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 1/20 0.47
RAB9A P51151 1/20 0.44
NAMPT P43490 8/20 0.43
TAAR1 Q96RJ0 2/20 0.43
HTT P42858 1/20 0.43
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
ROCK2 O75116 2/20 0.41
ROCK1 Q13464 2/20 0.41
KEAP1 Q14145 1/20 0.40
NFE2L2 Q16236 1/20 0.40
PKM P14618 1/20 0.40
SMN1; SMN2 Q16637 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
SCHEMBL3696487 0.84 NAMPT (0.47) NAMPTHTT
SCHEMBL2141957 0.82 KDM4E (0.47) RAB9ANAMPTKMT2AMEN1ROCK2
SCHEMBL2142581 0.80 MAPT (0.46) RAB9ANAMPTSMN1; SMN2
SCHEMBL3696984 0.77 CA9 (0.45) RAB9ANAMPTPKMSMN1; SMN2
SCHEMBL3706885 0.73 ECE1 (0.32)
SCHEMBL15196112 0.71 MDM2 (0.67) MDM2RAB9ANAMPTTAAR1HTT
SCHEMBL3706915 0.71 ECE1 (0.34)
SCHEMBL2141942 0.69 ALDH1A1 (0.52) RAB9ANAMPTHTTSMN1; SMN2
SCHEMBL3695375 0.69 MDM2 (0.50) MDM2RAB9ANAMPTTAAR1HTT
SCHEMBL29687159 0.69 MDM2 (0.58) MDM2RAB9ANAMPTTAAR1HTT

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 3 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

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 MDM2 4762/4885RAB9A 960/4885NAMPT 3234/4885
US-20120122763-A1 NOVEL TETRAHYDROCARBAZOLE DERIVATIVES AS LIGANDS OF G-PROTEIN COUPLED RECEPTORS GPR88, GPR34, GPR27 MDM2 4762/4885RAB9A 960/4885NAMPT 3234/4885

“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.