SCHEMBL3901192

SCHEMBL3901192

O=C(O)c1nc(CCN2CCOCC2)n2ccccc12

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.44
KMT2A Q03164 3/20 0.44
ALDH1A1 P00352 3/20 0.44
KDM4E B2RXH2 3/20 0.43
HSD17B10 Q99714 2/20 0.42
CASP1 P29466 1/20 0.42
CASP7 P55210 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CNR1 P21554 2/20 0.41
CNR2 P34972 2/20 0.41
NPC1 O15118 1/20 0.41
USP2 O75604 1/20 0.41
LMNA P02545 1/20 0.41
CYP2C19 P33261 1/20 0.41
POLB P06746 1/20 0.41
SIGMAR1 Q99720 1/20 0.41

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
SCHEMBL3908654 0.88 L3MBTL1 (0.46) KMT2AALDH1A1KDM4EHSD17B10CASP1
Hydrochloric Acid SCHEMBL3901949 0.88 CNR2 (0.42) MAPTKMT2AALDH1A1KDM4EHSD17B10
SCHEMBL3898943 0.87 CNR2 (0.43) MAPTKMT2AALDH1A1KDM4EHSD17B10
SCHEMBL3897746 0.87 LMNA (0.53) MAPTALDH1A1KDM4EHSD17B10CNR2
SCHEMBL3909201 0.85 ALDH1A1 (0.49) MAPTALDH1A1KDM4EHSD17B10CASP1
SCHEMBL3905424 0.85 KDM4E (0.40) MAPTKMT2AALDH1A1KDM4EHSD17B10
SCHEMBL3897389 0.84 GUCY1A1 (0.47) KDM4EHSD17B10CASP1CASP7L3MBTL1
SCHEMBL3895007 0.83 CNR2 (0.44) KMT2AKDM4EHSD17B10CASP1CASP7
SCHEMBL3897644 0.83 GUCY1A1 (0.64) MAPTALDH1A1KDM4ECNR1CNR2
SCHEMBL3906742 0.81 CNR2 (0.55) MAPTKMT2AALDH1A1KDM4EHSD17B10

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 3 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-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 MAPT 2183/4885KMT2A 3100/4885ALDH1A1 3016/4885

“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.