SCHEMBL2902838

SCHEMBL2902838

CC1=C(CCN2CCCC2)c2cc([N+](=O)[O-])ccc2C1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.52
ALDH1A1 P00352 2/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
LMNA P02545 1/20 0.48
CYP2D6 P10635 1/20 0.48
SIGMAR1 Q99720 2/20 0.47
KCNJ1 P48048 6/20 0.45
KCNH2 Q12809 5/20 0.45
HTR6 P50406 2/20 0.44
HTR7 P34969 1/20 0.42
PKM P14618 1/20 0.41
LTA4H P09960 1/20 0.41
PTGS1 P23219 1/20 0.41
PTGS2 P35354 1/20 0.41
KDM4E B2RXH2 1/20 0.40
POLB P06746 1/20 0.40
MAPT P10636 1/20 0.40
PABPC1 P11940 1/20 0.40
S1PR1 P21453 1/20 0.40

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
SCHEMBL2905681 0.79 KMT2A (0.50) ALDH1A1MEN1KMT2ALMNAKCNJ1
SCHEMBL2903390 0.79 HTR6 (0.49) ALDH1A1MEN1KMT2ALMNASIGMAR1
SCHEMBL2905751 0.78 HTR6 (0.46) HRH3ALDH1A1MEN1KMT2ALMNA
SCHEMBL27748110 0.76 PNMT (0.40)
SCHEMBL13297350 0.74 CYP2D6 (0.49) HRH3CYP2D6SIGMAR1HTR6KDM4E
SCHEMBL2899863 0.74 CYP1A2 (0.47) ALDH1A1MEN1KMT2ALMNAMAPT
SCHEMBL4523868 0.73 TLR9 (0.46) ALDH1A1MEN1KMT2ALMNAKDM4E
SCHEMBL2908115 0.72 L3MBTL1 (0.43) ALDH1A1MEN1KMT2ALMNASIGMAR1
SCHEMBL21412716 0.71 HRH3 (0.55) HRH3ALDH1A1MEN1KMT2ALMNA
SCHEMBL18962587 0.70 HRH3 (0.61) HRH3ALDH1A1MEN1KMT2ALMNA

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
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
EP-1960343-A2 INDENE DERIVATIVES, THEIR PREPARATION AND USE AS MEDICAMENTS Laboratorios del Dr. Esteve S.A. (ES) 2008-08-27 EP disclosed
WO-2007054257-A2 INDENE DERIVATIVES, THEIR PREPARATION AND USE AS MEDICAMENTS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2007-05-18 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 (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 HRH3 256/4885ALDH1A1 1409/4885MEN1 2057/4885
US-20090163547-A1 INDENE DERIVATIVES, THEIR PREPARATION AND USE AS MEDICAMENTS HTR6, HTR5A, HTR1A HRH3 191/4885ALDH1A1 1050/4885MEN1 1510/4885

“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.