SCHEMBL3897756

SCHEMBL3897756

CCCCc1nc(C(=O)c2cccc3ccccc23)c2ccccn12

nearest known ligand 0.94

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GUCY1A1 Q02108 1/20 0.94
GUCY1B1 Q02153 1/20 0.94
CNR2 P34972 17/20 0.57
CNR1 P21554 13/20 0.57
SLC6A3 Q01959 1/20 0.49
MEN1 O00255 1/20 0.46
NR1I2 O75469 1/20 0.46
ALDH1A1 P00352 1/20 0.46
CYP1A2 P05177 1/20 0.46
MAPT P10636 1/20 0.46
HPGD P15428 1/20 0.46
TSHR P16473 1/20 0.46
MAPK1 P28482 1/20 0.46
CYP2C19 P33261 1/20 0.46
KMT2A Q03164 1/20 0.46
NR1H4 Q96RI1 1/20 0.46

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
SCHEMBL3899242 0.93 GUCY1A1 (0.85) GUCY1A1GUCY1B1CNR2CNR1SLC6A3
SCHEMBL3902014 0.85 GUCY1A1 (0.69) GUCY1A1GUCY1B1CNR2CNR1MEN1
SCHEMBL3909055 0.80 GUCY1A1 (0.62) GUCY1A1GUCY1B1CNR2CNR1MEN1
SCHEMBL3897644 0.79 GUCY1A1 (0.64) GUCY1A1GUCY1B1CNR2CNR1ALDH1A1
SCHEMBL3896143 0.78 GUCY1A1 (0.62) GUCY1A1GUCY1B1CNR2CNR1MEN1
SCHEMBL3896080 0.77 GUCY1A1 (0.58) GUCY1A1GUCY1B1CNR2CNR1MEN1
SCHEMBL8448653 0.76 CNR2 (0.60) GUCY1A1GUCY1B1CNR2CNR1SLC6A3
SCHEMBL8452079 0.76 GUCY1A1 (0.57) GUCY1A1GUCY1B1CNR2CNR1SLC6A3
SCHEMBL8448651 0.75 GUCY1A1 (0.57) GUCY1A1GUCY1B1CNR2CNR1SLC6A3
SCHEMBL13898371 0.74 GUCY1A1 (0.56) GUCY1A1GUCY1B1CNR2CNR1ALDH1A1

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-20080009491-A1 1-(3-naphthalen-1-yl-imidazo[1,5-a]pyridin-1-yl)-butan-1-one; chronic pain, an inflammatory disorder, rheumatoid arthritis, multiple sclerosis, osteoporosis and osteoarthritis; cannabinoid receptor ligands FOREST LABORATORIES HOLDINGS LIMITED (BM) 2008-01-10 US claimed
US-7501438-B2 Pyridoimidazole derivatives FOREST LABORATORIES HOLDINGS LIMITED (BM) 2009-03-10 US disclosed
US-7501438-B2 Pyridoimidazole derivatives FOREST LABORATORIES HOLDINGS LIMITED (BM) 2009-03-10 US disclosed
US-7501438-B2 Pyridoimidazole derivatives FOREST LABORATORIES HOLDINGS LIMITED (BM) 2009-03-10 US disclosed
US-20080009491-A1 1-(3-naphthalen-1-yl-imidazo[1,5-a]pyridin-1-yl)-butan-1-one; chronic pain, an inflammatory disorder, rheumatoid arthritis, multiple sclerosis, osteoporosis and osteoarthritis; cannabinoid receptor ligands FOREST LABORATORIES HOLDINGS LIMITED (BM) 2008-01-10 US disclosed
US-20080009491-A1 1-(3-naphthalen-1-yl-imidazo[1,5-a]pyridin-1-yl)-butan-1-one; chronic pain, an inflammatory disorder, rheumatoid arthritis, multiple sclerosis, osteoporosis and osteoarthritis; cannabinoid receptor ligands FOREST LABORATORIES HOLDINGS LIMITED (BM) 2008-01-10 US disclosed
WO-2008005908-A2 PYRIDOIMIDAZOLE DERIVATIVES FOREST LABORATORIES HOLDINGS LIMITED (BM) 2008-01-10 WO disclosed
US-20080009491-A1 1-(3-naphthalen-1-yl-imidazo[1,5-a]pyridin-1-yl)-butan-1-one; chronic pain, an inflammatory disorder, rheumatoid arthritis, multiple sclerosis, osteoporosis and osteoarthritis; cannabinoid receptor ligands FOREST LABORATORIES HOLDINGS LIMITED (BM) 2008-01-10 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 (1 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-20080009491-A1 1-(3-naphthalen-1-yl-imidazo[1,5-a]pyridin-1-yl)-butan-1-one; chronic pain, an inflammatory disorder, rheumatoid arthritis, multiple sclerosis, osteoporosis and osteoarthritis; cannabinoid receptor ligands CNR1, CNR2, OPRK1 GUCY1A1 2264/4885GUCY1B1 2802/4885CNR2 2/4885

“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.