SCHEMBL2905751

SCHEMBL2905751

CC1=C(CCN2CCCC2)c2cc(N)ccc2C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 2/20 0.46
SIGMAR1 Q99720 3/20 0.42
HRH3 Q9Y5N1 4/20 0.40
ACHE P22303 2/20 0.36
RAD52 P43351 1/20 0.36
SLC6A3 Q01959 1/20 0.35
ALDH1A1 P00352 3/20 0.35
MAPT P10636 2/20 0.35
MEN1 O00255 1/20 0.35
GAA P10253 1/20 0.35
THRB P10828 1/20 0.35
NR4A1 P22736 1/20 0.35
KMT2A Q03164 1/20 0.35
PTK2B Q14289 1/20 0.35
LTA4H P09960 1/20 0.35
PTGS1 P23219 1/20 0.35
PTGS2 P35354 1/20 0.35
KDM4E B2RXH2 1/20 0.34
NPC1 O15118 1/20 0.34
LMNA P02545 1/20 0.34

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
SCHEMBL2906155 0.80 HTR6 (0.59) HTR6ALDH1A1MAPTTHRBKDM4E
SCHEMBL13297350 0.80 CYP2D6 (0.49) HTR6SIGMAR1HRH3SLC6A3KDM4E
SCHEMBL2902838 0.78 HRH3 (0.52) HTR6SIGMAR1HRH3RAD52ALDH1A1
SCHEMBL2905722 0.75 HTR6 (0.48) HTR6ALDH1A1MAPTKDM4ENPC1
SCHEMBL14538809 0.70 HTR6 (0.47) HTR6ALDH1A1MAPTMEN1KMT2A
Ammonia Solution, Strong SCHEMBL6142717 0.69 HRH3 (0.47) SIGMAR1HRH3ACHERAD52SLC6A3
Hydrochloric Acid SCHEMBL5929372 0.68 GAA (0.49) SIGMAR1HRH3ACHERAD52SLC6A3
SCHEMBL9306174 0.68 CHRM2 (0.50) SIGMAR1ALDH1A1MAPTKMT2ANPC1
SCHEMBL12005483 0.66 ACHE (0.51) SIGMAR1HRH3ACHESLC6A3ALDH1A1
SCHEMBL21412709 0.66 TERT (0.53) SIGMAR1HRH3ACHERAD52ALDH1A1

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-8217041-B2 Indene derivatives, their preparation and use as medicaments Laboratories del Sr. Esteve, S.A. (ES) 2012-07-10 US claimed
US-20090264457-A1 Combination of at least two 5HT6-Ligands LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2009-10-22 US claimed
US-20090163547-A1 INDENE DERIVATIVES, THEIR PREPARATION AND USE AS MEDICAMENTS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2009-06-25 US claimed
EP-2020230-A1 Combination of at least two 5-HT6-Ligands Laboratorios del Dr. Esteve S.A. (ES) 2009-02-04 EP claimed
US-8217041-B2 Indene derivatives, their preparation and use as medicaments Laboratories del Sr. Esteve, S.A. (ES) 2012-07-10 US disclosed
US-8217041-B2 Indene derivatives, their preparation and use as medicaments Laboratories del Sr. Esteve, S.A. (ES) 2012-07-10 US disclosed
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-20090264457-A1 Combination of at least two 5HT6-Ligands LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2009-10-22 US disclosed
US-20090163547-A1 INDENE DERIVATIVES, THEIR PREPARATION AND USE AS MEDICAMENTS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2009-06-25 US disclosed
US-20090163547-A1 INDENE DERIVATIVES, THEIR PREPARATION AND USE AS MEDICAMENTS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2009-06-25 US disclosed
US-20090163547-A1 INDENE DERIVATIVES, THEIR PREPARATION AND USE AS MEDICAMENTS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2009-06-25 US disclosed
EP-2020230-A1 Combination of at least two 5-HT6-Ligands Laboratorios del Dr. Esteve S.A. (ES) 2009-02-04 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 (2 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-20090264457-A1 Combination of at least two 5HT6-Ligands HTR6, HTR3B, HTR4 HTR6 1/4885SIGMAR1 99/4885HRH3 256/4885
US-20090163547-A1 INDENE DERIVATIVES, THEIR PREPARATION AND USE AS MEDICAMENTS HTR6, HTR5A, HTR1A HTR6 1/4885SIGMAR1 116/4885HRH3 191/4885

“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.