SCHEMBL3639432

SCHEMBL3639432

CCCn1nc(C)c(-c2ccc3c(c2)C(N(C)C)CC3)c1C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.37
BRD4 O60885 6/20 0.36
HTR7 P34969 3/20 0.33
PGR P06401 1/20 0.33
NR3C2 P08235 1/20 0.33
JAK2 O60674 1/20 0.32
JAK1 P23458 1/20 0.32
TYK2 P29597 1/20 0.32
JAK3 P52333 1/20 0.32
HTR1A P08908 2/20 0.32
IMPDH2 P12268 1/20 0.32
ADORA2A P29274 1/20 0.32
ADORA2B P29275 1/20 0.32
CHRM5 P08912 1/20 0.32
ADRA2A P08913 1/20 0.32
ADRA2B P18089 1/20 0.32
HTR1D P28221 1/20 0.32
HTR1B P28222 1/20 0.32
HTR3A P46098 1/20 0.32
HTR5A P47898 1/20 0.32

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
SCHEMBL3647479 0.91 ACHE (0.38) ACHEBRD4HTR7JAK2JAK1
SCHEMBL3638329 0.86 ACHE (0.38) ACHEBRD4HTR7JAK2JAK1
SCHEMBL3803130 0.86 ACHE (0.36) ACHEBRD4HTR7PGRNR3C2
SCHEMBL3970360 0.85 HTR7 (0.44) ACHEBRD4HTR7JAK2JAK1
SCHEMBL3641205 0.85 HTR7 (0.44) ACHEBRD4HTR7JAK2JAK1
SCHEMBL3641207 0.85 HTR7 (0.44) ACHEBRD4HTR7JAK2JAK1
SCHEMBL3975549 0.84 ADRA2A (0.36) BRD4PGRNR3C2ADORA2AADORA2B
Hydrochloric Acid SCHEMBL6526446 0.84 HTR7 (0.43) ACHEBRD4HTR7JAK2JAK1
Hydrochloric Acid SCHEMBL3637780 0.84 HTR7 (0.43) ACHEBRD4HTR7JAK2JAK1
Hydrochloric Acid SCHEMBL6524038 0.84 HTR7 (0.43) ACHEBRD4HTR7JAK2JAK1

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 14 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-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
EP-2011786-A1 Indane-amine derivatives, their preparation and use as medicaments Laboratorios del Dr. Esteve S.A. (ES) 2009-01-07 EP 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 ACHE 60/4885BRD4 1391/4885HTR7 74/4885

“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.