SCHEMBL7905006

SCHEMBL7905006

c1cc2c(c(C3CC3)c1)CNC2

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 9/20 0.44
HTR2B P41595 3/20 0.44
CD44 P16070 1/20 0.39
HTR2A P28223 3/20 0.39
HTR6 P50406 1/20 0.38
HTR1A P08908 2/20 0.38
HTR7 P34969 1/20 0.38
MEN1 O00255 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
KMT2A Q03164 1/20 0.38
PNMT P11086 1/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35

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
SCHEMBL21340182 0.83 CD44 (0.56) HTR2CHTR2BCD44HTR2AHTR6
Hydrochloric Acid SCHEMBL21326076 0.82 CD44 (0.54) HTR2CHTR2BCD44HTR6HTR1A
Hydrochloric Acid SCHEMBL29588004 0.82 CD44 (0.54) HTR2CHTR2BCD44HTR6HTR1A
SCHEMBL20805289 0.71 CRBN (0.55)
SCHEMBL18828495 0.69 HTR1A (0.50) HTR2CHTR2BHTR1AHTR7
SCHEMBL24120085 0.69 HTR2C (0.51) HTR2CHTR6HTR1AHTR7SLC6A2
SCHEMBL3275506 0.68 SSTR4 (0.40) HTR2CHTR2BHTR2AHTR1A
SCHEMBL3878395 0.68 CD44 (0.42) HTR2CCD44PNMT
SCHEMBL16759634 0.68 CD44 (0.42) HTR2CCD44PNMT
SCHEMBL3961093 0.68 BCL2L1 (0.48) CD44MEN1CYP3A4KMT2APNMT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130085134-A1 QUINOXALINE COMPOUND ASTELLAS PHARMA INC. (JP) 2013-04-04 US disclosed
US-8357688-B2 Substituted imidazo[1,5-a]quinoxalin-4(5H)-ones as PDE9 inhibitors ASTELLAS PHARMA INC. (JP) 2013-01-22 US disclosed
US-20110319385-A1 QUINOXALINE COMPOUND ASTELLAS PHARMA INC. (JP) 2011-12-29 US disclosed
WO-2010101230-A1 QUINOXALINE COMPOUNDS アステラス製薬株式会社 (JP) 2010-09-10 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-20130085134-A1 QUINOXALINE COMPOUND PDE9A, PDE2A, PDE3A HTR2C 4298/4885HTR2B 3259/4885CD44 4769/4885
US-20110319385-A1 QUINOXALINE COMPOUND PDE9A, PDE5A, PDE3A HTR2C 4396/4885HTR2B 3984/4885CD44 4711/4885

“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.