SCHEMBL3695375

SCHEMBL3695375

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 1/20 0.50
RAB9A P51151 1/20 0.50
NAMPT P43490 5/20 0.47
ROCK2 O75116 3/20 0.46
ROCK1 Q13464 3/20 0.46
KMT2A Q03164 4/20 0.45
GAA P10253 1/20 0.45
TAAR1 Q96RJ0 2/20 0.45
HTT P42858 2/20 0.45
LMNA P02545 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
MEN1 O00255 2/20 0.43
EPHX1 P07099 1/20 0.43
CHUK O15111 1/20 0.43
RPS6KA5 O75582 1/20 0.43
PRKD3 O94806 1/20 0.43
CDK1 P06493 1/20 0.43
CDK2 P24941 1/20 0.43
LTK P29376 1/20 0.43
CDK8 P49336 1/20 0.43

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
SCHEMBL3696488 0.82 LMNA (0.51) RAB9ANAMPTKMT2AGAAHTT
SCHEMBL2141960 0.80 KDM4E (0.47) RAB9AROCK2ROCK1KMT2AGAA
SCHEMBL2142582 0.77 MAPT (0.49) RAB9AGAALMNASMN1; SMN2
SCHEMBL13884998 0.77 FDPS (0.45) ROCK2ROCK1HTTLMNASMN1; SMN2
SCHEMBL15196112 0.76 MDM2 (0.67) MDM2RAB9ANAMPTKMT2AGAA
SCHEMBL12989329 0.73 KMT2A (0.64) MDM2RAB9ANAMPTROCK2ROCK1
SCHEMBL3706886 0.73 EPHX1 (0.37) SMN1; SMN2EPHX1
SCHEMBL8282413 0.73 EPHX1 (0.50) RAB9AKMT2ATAAR1HTTLMNA
SCHEMBL11310806 0.71 NAMPT (0.65) MDM2RAB9ANAMPTKMT2AHTT
SCHEMBL3696985 0.70 POLB (0.49) NAMPTGAALMNASMN1; SMN2

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.