SCHEMBL3638849

SCHEMBL3638849

CNC1CCc2ccc(-c3cccnc3OC)cc21

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 1/20 0.43
LOXL2 Q9Y4K0 1/20 0.41
IMPDH2 P12268 1/20 0.41
NAAA Q02083 2/20 0.40
ALOX5AP P20292 1/20 0.40
FEN1 P39748 1/20 0.40
ACHE P22303 2/20 0.40
KDM1A O60341 2/20 0.37
MAOA P21397 2/20 0.37
MAOB P27338 2/20 0.37
PIK3CA P42336 1/20 0.37
JAK2 O60674 1/20 0.37
JAK3 P52333 1/20 0.37
PTK2 Q05397 1/20 0.37
USP30 Q70CQ3 1/20 0.37
NR1I2 O75469 1/20 0.36
DHODH Q02127 1/20 0.36
PTGES2 Q9H7Z7 1/20 0.36
CARM1 Q86X55 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
SCHEMBL3646101 0.81 PDPK1 (0.53) PDPK1IMPDH2ACHEKDM1AMAOA
SCHEMBL3640919 0.81 LOXL2 (0.43) LOXL2IMPDH2NAAAALOX5APFEN1
SCHEMBL3638847 0.80 LOXL2 (0.47) LOXL2NAAAALOX5APFEN1KDM1A
SCHEMBL1012214 0.76 MAOA (0.46) LOXL2NAAAALOX5APFEN1MAOA
SCHEMBL8030414 0.75 MAOA (0.46) LOXL2NAAAALOX5APFEN1KDM1A
SCHEMBL3642763 0.74 PDPK1 (0.49) PDPK1IMPDH2ACHEKDM1AMAOA
SCHEMBL4152450 0.73 USP30 (0.42) LOXL2NAAAALOX5APFEN1KDM1A
SCHEMBL5484314 0.70 ACHE (0.60) PDPK1ACHEKDM1AMAOAMAOB
Hydrochloric Acid SCHEMBL9630772 0.69 ACHE (0.63) PDPK1ACHEKDM1AMAOAMAOB
SCHEMBL3642023 0.69 GRIA1 (0.44) PDPK1IMPDH2ACHEKDM1AMAOA

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 13 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-8232307-B2 Indane-amine derivatives, their preparation and use as medicaments LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2012-07-31 US disclosed
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
US-20110053980-A1 INDANE-AMINE DERIVATIVES, THEIR PREPARATION AND USE AS MEDICAMENTS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2011-03-03 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
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 PDPK1 3083/4885LOXL2 2769/4885IMPDH2 11/4885

“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.