SCHEMBL10240776

SCHEMBL10240776

CC(C)NCCCc1ccccn1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 4/20 0.57
ALDH1A1 P00352 2/20 0.57
CYP2C19 P33261 2/20 0.57
HRH3 Q9Y5N1 1/20 0.56
LMNA P02545 2/20 0.54
TAAR1 Q96RJ0 1/20 0.54
ALOX15 P16050 1/20 0.54
HRH1 P35367 2/20 0.50
APP P05067 1/20 0.50
TDP1 Q9NUW8 1/20 0.47
CHRM2 P08172 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
TAS1R3 Q7RTX0 1/20 0.44
TAS1R1 Q7RTX1 1/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43

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
SCHEMBL278114 0.89 CYP1A2 (0.65) CYP1A2ALDH1A1CYP2C19HRH3LMNA
SCHEMBL4067485 0.80 HRH3 (0.79) CYP1A2ALDH1A1CYP2C19HRH3LMNA
SCHEMBL18958955 0.80 MAPT (0.60) CYP1A2ALDH1A1CYP2C19HRH3LMNA
SCHEMBL104954 0.78 MAOA (0.53) CYP1A2ALDH1A1CYP2C19HRH3LMNA
SCHEMBL10241557 0.77 HRH3 (0.58) CYP1A2ALDH1A1CYP2C19HRH3LMNA
SCHEMBL29485637 0.77 HRH1 (0.69) CYP1A2ALDH1A1CYP2C19HRH3LMNA
SCHEMBL726512 0.77 HRH1 (0.76) CYP1A2ALDH1A1CYP2C19HRH3LMNA
SCHEMBL231470 0.77 HRH1 (0.69) CYP1A2ALDH1A1CYP2C19HRH3LMNA
SCHEMBL12604331 0.77 CYP1A2 (0.57) CYP1A2ALDH1A1CYP2C19HRH3LMNA
SCHEMBL22851320 0.76 HRH3 (0.56) CYP1A2ALDH1A1CYP2C19HRH3LMNA

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8119654-B2 Indenoisoquinolinone analogs and methods of use thereof INOTEK PHARMACEUTICALS CORPORATION (US) 2012-02-21 US disclosed
US-8119654-B2 Indenoisoquinolinone analogs and methods of use thereof INOTEK PHARMACEUTICALS CORPORATION (US) 2012-02-21 US disclosed
US-20100179140-A1 INDENOISOQUINOLINONE ANALOGS AND METHODS OF USE THEREOF INOTEK PHARMACEUTICALS CORPORATION (US) 2010-07-15 US disclosed
US-20100121049-A1 INDENOISOQUINOLINONE ANALOGS AND METHODS OF USE THEREOF INOTEK PHARMACEUTICALS CORPORATION (US) 2010-05-13 US disclosed
US-20100121049-A1 INDENOISOQUINOLINONE ANALOGS AND METHODS OF USE THEREOF INOTEK PHARMACEUTICALS CORPORATION (US) 2010-05-13 US disclosed
US-7652028-B2 Indenoisoquinolinone analogs and methods of use thereof INOTEK PHARMACEUTICALS CORPORATION (US) 2010-01-26 US disclosed
US-20100004220-A1 Indenoisoquinolinone Analogs and Methods of Use Thereof INOTEK PHARMACEUTICALS CORPORATION 2010-01-07 US disclosed
US-20070049555-A1 Indenoisoquinolinone analogs and methods of use thereof INOTEK PHARMACEUTICALS CORPORATION (US) 2007-03-01 US 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 (4 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-20070049555-A1 Indenoisoquinolinone analogs and methods of use thereof TNNI3, IDH2, GLS CYP1A2 507/4885ALDH1A1 137/4885CYP2C19 1880/4885
US-20100121049-A1 INDENOISOQUINOLINONE ANALOGS AND METHODS OF USE THEREOF TNNI3, IDH2, GLS CYP1A2 507/4885ALDH1A1 137/4885CYP2C19 1880/4885
US-20100004220-A1 Indenoisoquinolinone Analogs and Methods of Use Thereof TNNI3, IDH2, GLS CYP1A2 507/4885ALDH1A1 137/4885CYP2C19 1880/4885
US-20100179140-A1 INDENOISOQUINOLINONE ANALOGS AND METHODS OF USE THEREOF TNNI3, IDH2, GLS CYP1A2 507/4885ALDH1A1 137/4885CYP2C19 1880/4885

“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.