SCHEMBL5500770

SCHEMBL5500770

CCC1(C)C(=O)Nc2ccccc21

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 1/20 0.60
PDK4 Q16654 1/20 0.60
POLB P06746 2/20 0.54
LMNA P02545 2/20 0.47
GAA P10253 2/20 0.45
BACE1 P56817 1/20 0.45
IDO1 P14902 1/20 0.44
TDO2 P48775 1/20 0.44
ATM Q13315 1/20 0.44
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
ALDH1A1 P00352 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
AKR1B1 P15121 1/20 0.43
CHRM2 P08172 1/20 0.42
ADORA3 P0DMS8 1/20 0.42
KCNH2 Q12809 1/20 0.42
MAPK1 P28482 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
SCHEMBL24740182 1.00 PDK2 (0.60) PDK2PDK4POLBLMNAGAA
SCHEMBL5497405 0.86 MAPT (0.48) PDK2PDK4POLBLMNAGAA
SCHEMBL5496567 0.84 PDK2 (0.44) PDK2PDK4POLBLMNAGAA
SCHEMBL11535997 0.84 PDK2 (0.47) PDK2PDK4POLBLMNAGAA
SCHEMBL16822019 0.80 PDK2 (0.55) PDK2PDK4POLBLMNAGAA
SCHEMBL19410666 0.80 PDK2 (0.55) PDK2PDK4POLBLMNAGAA
SCHEMBL7834463 0.80 PGR (0.59) PDK2PDK4LMNAATMALDH1A1
SCHEMBL12747116 0.79 PDK2 (0.53) PDK2PDK4POLBLMNAGAA
SCHEMBL28513117 0.79 PDK2 (0.53) PDK2PDK4POLBLMNAGAA
Hydrochloric Acid SCHEMBL16822147 0.79 PDK2 (0.53) PDK2PDK4POLBLMNAGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2556070-B1 SYNTHESIS OF CHIRAL 2-(1H-INDAZOL-6-YL)-SPIRO[CYCLOPROPANE-1,3'- INDOLIN]-2'-ONES UNIV HEALTH NETWORK (CA) 2017-06-07 EP disclosed
WO-2007075946-A1 COMPOUNDS USEFUL IN CFTR ASSAYS AND METHODS THEREWITH VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-07-05 WO disclosed
EP-1778222-A1 PROGESTERONE RECEPTOR MODULATORS COMPRISING PYRROLE-OXINDOLE DERIVATIVES AND USES THEREOF Wyeth (US) 2007-05-02 EP disclosed
WO-2006023107-A1 PROGESTERONE RECEPTOR MODULATORS COMPRISING PYRROLE-OXINDOLE DERIVATIVES AND USES THEREOF WYETH (US) 2006-03-02 WO disclosed
US-20060030615-A1 Progesterone receptor modulators comprising pyrrole-oxindole derivatives and uses thereof WYETH (US) 2006-02-09 US disclosed
EP-0780388-B1 5HT1Dalpha and 5HT2A ligands LILLY CO ELI (GB) 2001-08-16 EP disclosed
US-6166040-A Indole compounds ELI LILLY AND COMPANY LIMITED (GB) 2000-12-26 US disclosed
EP-0963983-A1 Indol-2-ones as serotonin modulators ELI LILLY AND COMPANY LIMITED (GB) 1999-12-15 EP disclosed
WO-1999058525-A1 INDOLE DERIVATIVES AS 5-HT2A LIGANDS AND AS SEROTONINE REUPTAKE INHIBITORS ELI LILLY AND COMPANY LIMITED (GB) 1999-11-18 WO disclosed
US-5773448-A NERVOUS SYSTEM DISORDERS ELI LILLY AND COMPANY LIMITED (GB) 1998-06-30 US disclosed
EP-0780388-A1 5HT1Dalpha and 5HT2A ligands LILLY INDUSTRIES LIMITED (GB) 1997-06-25 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-20060030615-A1 Progesterone receptor modulators comprising pyrrole-oxindole derivatives and uses thereof PGR, PGRMC2, PGRMC1 PDK2 394/4885PDK4 595/4885POLB 2885/4885

“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.