SCHEMBL4904443

SCHEMBL4904443

COc1cccc2[nH]c3c(c12)CC(C=O)CC3

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 2/20 0.47
MAPKAPK2 P49137 1/20 0.46
ADRA1A P35348 1/20 0.44
PARP1 P09874 1/20 0.43
MAPK10 P53779 1/20 0.42
RIPK1 Q13546 1/20 0.42
ABCG2 Q9UNQ0 1/20 0.41
PDE5A O76074 2/20 0.40
PDE4D Q08499 1/20 0.40
PDE10A Q9Y233 1/20 0.40
EP300 Q09472 1/20 0.37
ACHE P22303 1/20 0.36
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
HPGD P15428 2/20 0.36
MAPT P10636 2/20 0.36
TP53 P04637 1/20 0.36
HSD17B10 Q99714 1/20 0.36
MEN1 O00255 1/20 0.36
HTT P42858 1/20 0.36

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
SCHEMBL24408232 0.82 NR2E1 (0.56) HTR2CMAPKAPK2ADRA1AMAPK10RIPK1
SCHEMBL7410402 0.80 CHRM3 (0.59) HTR2CMAPKAPK2ADRA1AMAPK10RIPK1
SCHEMBL4903428 0.80 ALDH1A1 (0.46) MAPK10KDM4EALDH1A1HPGDMAPT
SCHEMBL14628604 0.79 HTR2C (0.43) HTR2CMAPKAPK2ADRA1APARP1MAPK10
SCHEMBL11199773 0.79 HTR2C (0.46) HTR2CMAPKAPK2ADRA1APARP1MAPK10
SCHEMBL24408357 0.76 MAPKAPK2 (0.46) HTR2CMAPKAPK2ADRA1APARP1MAPK10
SCHEMBL6628829 0.75 HTR2C (0.54) HTR2CMAPKAPK2ADRA1APARP1MAPK10
SCHEMBL4101907 0.75 HTR2C (0.54) HTR2CMAPKAPK2ADRA1APARP1MAPK10
SCHEMBL24408389 0.74 MTNR1A (0.47) MAPKAPK2MAPT
SCHEMBL29619200 0.74 MTNR1A (0.47) MAPKAPK2MAPT

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 HTR2C 3/4885MAPKAPK2 2878/4885ADRA1A 289/4885
US-20080081910-A1 CYCLOALKYLFUSED INDOLE, BENZOTHIOPHENE, BENZOFURAN AND INDENE DERIVATIVES TPH1, TPH2, HTR2C HTR2C 3/4885MAPKAPK2 2878/4885ADRA1A 289/4885

“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.