SCHEMBL2903390

SCHEMBL2903390

CC1=C(CCN(C)C)c2cc([N+](=O)[O-])ccc2C1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 5/20 0.49
ADRA2A P08913 4/20 0.48
HTR1A P08908 2/20 0.44
HTR2C P28335 1/20 0.40
TLR9 Q9NR96 2/20 0.40
MEN1 O00255 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40
CRHBP P24387 1/20 0.39
CRHR2 Q13324 1/20 0.39
CHRNB2 P17787 1/20 0.39
CHRNA4 P43681 1/20 0.39
PGR P06401 2/20 0.39
TDP2 O95551 1/20 0.38
PARP1 P09874 1/20 0.38
PNMT P11086 3/20 0.37
ADRA2B P18089 1/20 0.37
ADRA2C P18825 1/20 0.37

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
SCHEMBL2908115 0.80 L3MBTL1 (0.43) ADRA2ATLR9MEN1LMNAMAPT
SCHEMBL2902838 0.79 HRH3 (0.52) HTR6MEN1LMNAMAPTRAB9A
SCHEMBL2899863 0.77 CYP1A2 (0.47) ADRA2ATLR9MEN1LMNAMAPT
SCHEMBL4523868 0.76 TLR9 (0.46) ADRA2ATLR9MEN1LMNAMAPT
SCHEMBL2905898 0.76 HTR6 (0.51) HTR6ADRA2AHTR1AHTR2CMEN1
SCHEMBL27748110 0.74 PNMT (0.40) ADRA2AHTR1ATDP2PARP1PNMT
SCHEMBL2905681 0.72 KMT2A (0.50) MEN1LMNAMAPTRAB9AKMT2A
SCHEMBL1697207 0.69 MAPT (0.53) ADRA2ATLR9MEN1LMNAMAPT
SCHEMBL8503139 0.67 PTPRC (0.55) ADRA2ATLR9MEN1LMNAMAPT
SCHEMBL777298 0.67 KCNH2 (0.60) CRHBPCRHR2TSHRSIGMAR1

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 15 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
CN-101356149-A Indene derivatives, their preparation and use as medicaments ESTEVE LABOR DR (ES) 2009-01-28 CN claimed
EP-1960343-A2 INDENE DERIVATIVES, THEIR PREPARATION AND USE AS MEDICAMENTS Laboratorios del Dr. Esteve S.A. (ES) 2008-08-27 EP claimed
WO-2007054257-A2 INDENE DERIVATIVES, THEIR PREPARATION AND USE AS MEDICAMENTS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2007-05-18 WO 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
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
EP-2020230-A1 Combination of at least two 5-HT6-Ligands Laboratorios del Dr. Esteve S.A. (ES) 2009-02-04 EP disclosed
CN-101356149-A Indene derivatives, their preparation and use as medicaments ESTEVE LABOR DR (ES) 2009-01-28 CN 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 1/4885ADRA2A 65/4885HTR1A 8/4885
US-20090163547-A1 INDENE DERIVATIVES, THEIR PREPARATION AND USE AS MEDICAMENTS HTR6, HTR5A, HTR1A HTR6 1/4885ADRA2A 25/4885HTR1A 3/4885

“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.