SCHEMBL5758095

SCHEMBL5758095

CC1CC(c2nc3c(F)cccc3s2)=CCN1C(=O)OC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.41
TP53 P04637 2/20 0.41
RAB9A P51151 3/20 0.40
NPC1 O15118 2/20 0.40
GRM5 P41594 5/20 0.38
GRM1 Q13255 5/20 0.38
SMN1; SMN2 Q16637 3/20 0.36
GAA P10253 2/20 0.35
ILK Q13418 1/20 0.35
SCN9A Q15858 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
KMT2A Q03164 1/20 0.35
MCL1 Q07820 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.34
HTR2C P28335 1/20 0.34
TSHR P16473 1/20 0.34
CASP3 P42574 1/20 0.34

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
SCHEMBL5759027 0.89 MAPT (0.38) MAPTTP53RAB9ANPC1GRM5
SCHEMBL7837688 0.86 RAB9A (0.40) MAPTRAB9ANPC1GRM5GRM1
SCHEMBL7837412 0.83 NPC1 (0.41) MAPTTP53RAB9ANPC1GRM5
SCHEMBL6310341 0.82 MAPT (0.42) MAPTTP53RAB9ANPC1GRM5
SCHEMBL25279452 0.72 GRM5 (0.36) GRM5GRM1MEN1KMT2APDK4
SCHEMBL24700152 0.71 GRM5 (0.42) GRM5GRM1PDK4
SCHEMBL23290996 0.71 L3MBTL1 (0.41) NPC1GRM5GRM1KDM4EL3MBTL1
SCHEMBL7970683 0.71 PDK4 (0.51) GRM5GRM1PDK4
SCHEMBL9892842 0.71 NPC1 (0.61) MAPTTP53RAB9ANPC1SMN1; SMN2
SCHEMBL6311628 0.71 MAPT (0.37) MAPTTP53RAB9ANPC1GRM5

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7144898-B2 Indole derivatives for the treatment of depression and anxiety ELI LILLY AND COMPANY (US) 2006-12-05 US disclosed
EP-1242411-B1 INDOLE DERIVATIVES FOR THE TREATMENT OF DEPRESSION AND ANXIETY LILLY CO ELI (US) 2006-03-08 EP disclosed
US-20040006229-A1 Indole derivatives for the treatment of depression and anxiety ELI LILLY AND COMPANY 2004-01-08 US disclosed
US-6303627-B1 FOR THERAPY OF PHYSIOLOGICAL AND PSYCHOLOGICAL DISORDERS ELI LILLY AND COMPANY 2001-10-16 US disclosed
WO-1999065487-A1 INHIBITORS OF SEROTONIN REUPTAKE ELI LILLY AND COMPANY (US) 1999-12-23 WO disclosed
EP-0965587-A1 Tetrahydropyridinyl- and piperidinyl Inhibitors of serotonin reuptake ELI LILLY AND COMPANY (US) 1999-12-22 EP 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 (1 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-20040006229-A1 Indole derivatives for the treatment of depression and anxiety IDO1, TPH1, IDO2 MAPT 1285/4885TP53 4295/4885RAB9A 3368/4885

“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.