SCHEMBL3638847

SCHEMBL3638847

COc1ncccc1-c1ccc2c(c1)C(CN)CC2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.47
ALOX5AP P20292 1/20 0.42
FEN1 P39748 1/20 0.42
NAAA Q02083 2/20 0.40
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
CYP19A1 P11511 1/20 0.38
DHFR P00374 1/20 0.37
KLKB1 P03952 1/20 0.37
GPR84 Q9NQS5 2/20 0.37
FFAR4 Q5NUL3 2/20 0.37
KDM1A O60341 1/20 0.37
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
HRH4 Q9H3N8 1/20 0.36
METAP2 P50579 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
SCHEMBL3640919 0.82 LOXL2 (0.43) LOXL2ALOX5APFEN1NAAADHFR
SCHEMBL3646099 0.82 HTR2C (0.46) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL3638849 0.80 PDPK1 (0.43) LOXL2ALOX5APFEN1NAAAKDM1A
SCHEMBL1012214 0.75 MAOA (0.46) LOXL2ALOX5APFEN1NAAAMAOA
SCHEMBL8030414 0.74 MAOA (0.46) LOXL2ALOX5APFEN1NAAADHFR
SCHEMBL3642761 0.74 ADRA2A (0.42) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL9630431 0.71 MTNR1A (0.60)
SCHEMBL3645246 0.71 ADRA2A (0.46) ADRA2AADRA2BADRA2CADRA1DADRA1A
Hydrochloric Acid SCHEMBL10395043 0.70 MTNR1A (0.59)
SCHEMBL3642020 0.70 GRIA1 (0.44) ADRA2AADRA2BADRA2CADRA1DADRA1A

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-2173712-A2 INDANE-AMINE DERIVATIVES, THEIR PREPARATION AND USE AS MEDICAMENTS Laboratorios Del. Dr. Esteve, S.A. (ES) 2010-04-14 EP claimed
WO-2009003719-A2 INDANE-AMINE DERIVATIVES, THEIR PREPARATION AND USE AS MEDICAMENTS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2009-01-08 WO 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

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 LOXL2 2769/4885ALOX5AP 1285/4885FEN1 3460/4885

“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.