SCHEMBL2903577

SCHEMBL2903577

O=C1CCC2=C1Cc1ccccc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 2/20 0.52
BCHE P06276 1/20 0.52
MAOA P21397 2/20 0.50
ACHE P22303 1/20 0.46
CYP2A6 P11509 2/20 0.45
MAOB P27338 1/20 0.45
SRD5A1 P18405 2/20 0.44
CHRM2 P08172 1/20 0.44
HTR1A P08908 1/20 0.44
ADRA2A P08913 1/20 0.44
CHRM1 P11229 1/20 0.44
DRD1 P21728 1/20 0.44
SLC6A2 P23975 1/20 0.44
SLC6A4 P31645 1/20 0.44
ADRA1A P35348 1/20 0.44
OPRM1 P35372 1/20 0.44
DRD3 P35462 1/20 0.44
SLC6A3 Q01959 1/20 0.44
KCNH2 Q12809 1/20 0.44
TDP2 O95551 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
SCHEMBL12111742 0.88 MAOA (0.57) CES1BCHEMAOAACHECYP2A6
SCHEMBL2102377 0.80 CES1 (0.63) CES1BCHEMAOAACHECYP2A6
SCHEMBL11649943 0.78 MAOA (0.54) CES1BCHEMAOAACHECYP2A6
SCHEMBL3284155 0.77 MAOA (0.55) CES1BCHEMAOAACHEMAOB
SCHEMBL11849586 0.76 MAOB (0.68) CES1BCHEMAOACYP2A6MAOB
SCHEMBL11671185 0.74 CES1 (0.59) CES1MAOACYP2A6MAOBSRD5A1
SCHEMBL11671192 0.74 CES1 (0.59) CES1MAOACYP2A6MAOBSRD5A1
SCHEMBL8009481 0.74 CES1 (0.59) CES1MAOACYP2A6MAOBSRD5A1
SCHEMBL732656 0.73 MAOA (0.73) CES1BCHEMAOAACHEMAOB
SCHEMBL31070117 0.72

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-8217041-B2 Indene derivatives, their preparation and use as medicaments Laboratories del Sr. Esteve, S.A. (ES) 2012-07-10 US disclosed
EP-2202222-A2 Indene derivatives, their preparation and use as medicaments LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2010-06-30 EP disclosed
US-20090163547-A1 INDENE DERIVATIVES, THEIR PREPARATION AND USE AS MEDICAMENTS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2009-06-25 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 (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-20090163547-A1 INDENE DERIVATIVES, THEIR PREPARATION AND USE AS MEDICAMENTS HTR6, HTR5A, HTR1A CES1 2320/4885BCHE 1729/4885MAOA 97/4885

“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.