SCHEMBL4895918

SCHEMBL4895918

O=C1CCc2c([nH]c3ccc(F)cc23)C1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BAZ2B Q9UIF8 1/20 0.48
GSK3B P49841 3/20 0.45
CDK5 Q00535 3/20 0.45
CDK5R1 Q15078 3/20 0.45
CCNB2 O95067 1/20 0.45
CDK1 P06493 1/20 0.45
CCNB1 P14635 1/20 0.45
CCNB3 Q8WWL7 1/20 0.45
MAPK10 P53779 1/20 0.45
RIPK1 Q13546 1/20 0.45
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
GLA P06280 1/20 0.44
GAA P10253 1/20 0.44
HTT P42858 1/20 0.44
KEAP1 Q14145 1/20 0.44
NFE2L2 Q16236 1/20 0.44
ACHE P22303 1/20 0.43
MAPKAPK2 P49137 1/20 0.43
LMNA P02545 2/20 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
SCHEMBL2427000 0.88 BAZ2B (0.51) BAZ2BGSK3BCDK5CDK5R1CCNB2
SCHEMBL11325435 0.81 LMNA (0.52) BAZ2BGSK3BCDK5CDK5R1CCNB2
SCHEMBL4899493 0.78 BAZ2B (0.45) BAZ2BMAPK10RIPK1ALDH1A1GAA
SCHEMBL4899501 0.78 BAZ2B (0.45) BAZ2BMAPK10RIPK1ALDH1A1GAA
SCHEMBL6826753 0.77 MAPT (0.60) BAZ2BKDM4EALDH1A1ACHELMNA
SCHEMBL6529801 0.77 HTR2A (0.54) KDM4EALDH1A1HTT
SCHEMBL2969878 0.73 LMNA (0.62) BAZ2BKDM4EMAPKAPK2LMNA
SCHEMBL30685317 0.73 LMNA (0.62) BAZ2BKDM4EMAPKAPK2LMNA
Hydrochloric Acid SCHEMBL9485106 0.72 LMNA (0.61) BAZ2BKDM4EMAPKAPK2LMNA
SCHEMBL26836966 0.72 HTR2A (0.55) MAPKAPK2

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-20080081910-A1 CYCLOALKYLFUSED INDOLE, BENZOTHIOPHENE, BENZOFURAN AND INDENE DERIVATIVES WYETH (US) 2008-04-03 US disclosed
EP-1856126-A2 CYCLOALKYLFUSED INDOLE, BENZOTHIOPHENE, BENZOFURAN AND INDENE DERIVATIVES Wyeth a Corporation of the State of Delaware (US) 2007-11-21 EP disclosed
US-7297704-B2 Cycloalkyfused indole, benzothiophene, benzofuran and idene derivatives WYETH (US) 2007-11-20 US disclosed
US-20060205759-A1 Cycloalkylfused indole, benzothiophene, benzofuran and indene derivatives WYETH (US) 2006-09-14 US disclosed
WO-2006089053-A2 CYCLOALKYLFUSED INDOLE, BENZOTHIOPHENE, BENZOFURAN AND INDENE DERIVATIVES WYETH (US) 2006-08-24 WO 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-20060205759-A1 Cycloalkylfused indole, benzothiophene, benzofuran and indene derivatives TPH1, TPH2, HTR2C BAZ2B 1315/4885GSK3B 1261/4885CDK5 170/4885
US-20080081910-A1 CYCLOALKYLFUSED INDOLE, BENZOTHIOPHENE, BENZOFURAN AND INDENE DERIVATIVES TPH1, TPH2, HTR2C BAZ2B 1315/4885GSK3B 1261/4885CDK5 170/4885

“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.