SCHEMBL3642020

SCHEMBL3642020

COc1cccc(Cl)c1-c1ccc2c(c1)C(CN)CC2

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GRIA1 P42261 1/20 0.44
CACNG8 Q8WXS5 1/20 0.44
HTR2C P28335 6/20 0.38
ADRA2A P08913 1/20 0.38
ADRA2B P18089 1/20 0.38
ADRA2C P18825 1/20 0.38
ADRA1D P25100 1/20 0.38
ADRA1A P35348 1/20 0.38
ADRA1B P35368 1/20 0.38
HTR2A P28223 3/20 0.38
HSP90AA1 P07900 2/20 0.38
HSP90AB1 P08238 1/20 0.38
HTR1A P08908 1/20 0.37
HTR2B P41595 2/20 0.37
FABP4 P15090 3/20 0.37
FABP3 P05413 1/20 0.36
HTR6 P50406 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
SCHEMBL3642761 0.92 ADRA2A (0.42) HTR2CADRA2AADRA2BADRA2CADRA1D
SCHEMBL3637417 0.88 ADRA2A (0.45) GRIA1CACNG8ADRA2AADRA2BADRA2C
SCHEMBL3644416 0.82 GRIA1 (0.44) GRIA1CACNG8HTR1AFABP4FABP3
SCHEMBL3646099 0.82 HTR2C (0.46) HTR2CADRA2AADRA2BADRA2CADRA1D
SCHEMBL3645246 0.81 ADRA2A (0.46) GRIA1CACNG8ADRA2AADRA2BADRA2C
SCHEMBL3642023 0.80 GRIA1 (0.44) GRIA1CACNG8FABP4
SCHEMBL3674201 0.79 MTNR1A (0.38) HTR1A
SCHEMBL3647136 0.75 ADRA2A (0.45) HTR2CADRA2AADRA2BADRA2CADRA1D
SCHEMBL3643157 0.73 ACHE (0.45) HTR1A
SCHEMBL3645817 0.72 ADRA2A (0.42) HTR2CADRA2AADRA2BADRA2CADRA1D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8232307-B2 Indane-amine derivatives, their preparation and use as medicaments LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2012-07-31 US claimed
US-20110053980-A1 INDANE-AMINE DERIVATIVES, THEIR PREPARATION AND USE AS MEDICAMENTS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2011-03-03 US claimed
EP-2011786-A1 Indane-amine derivatives, their preparation and use as medicaments Laboratorios del Dr. Esteve S.A. (ES) 2009-01-07 EP claimed
US-8232307-B2 Indane-amine derivatives, their preparation and use as medicaments LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2012-07-31 US disclosed
US-20110053980-A1 INDANE-AMINE DERIVATIVES, THEIR PREPARATION AND USE AS MEDICAMENTS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2011-03-03 US disclosed
EP-2173712-A2 INDANE-AMINE DERIVATIVES, THEIR PREPARATION AND USE AS MEDICAMENTS Laboratorios Del. Dr. Esteve, S.A. (ES) 2010-04-14 EP disclosed
WO-2009003719-A2 INDANE-AMINE DERIVATIVES, THEIR PREPARATION AND USE AS MEDICAMENTS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2009-01-08 WO disclosed
EP-2011786-A1 Indane-amine derivatives, their preparation and use as medicaments Laboratorios del Dr. Esteve S.A. (ES) 2009-01-07 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-20110053980-A1 INDANE-AMINE DERIVATIVES, THEIR PREPARATION AND USE AS MEDICAMENTS INMT, IDO1, PNMT GRIA1 1166/4885CACNG8 2823/4885HTR2C 116/4885

“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.