SCHEMBL3895887

SCHEMBL3895887

O=C(CCN1CCOCC1)NCc1ccccn1

nearest known ligand 0.65

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 2/20 0.55
▸ HPGD P15428 2/20 0.55
▸ SMN1; SMN2 Q16637 2/20 0.55
▸ ALOX15 P16050 2/20 0.55
▸ LMNA P02545 1/20 0.55
▸ CYP2C19 P33261 1/20 0.55
▸ TDP1 Q9NUW8 1/20 0.55
▸ KMT2A Q03164 2/20 0.53
▸ MEN1 O00255 1/20 0.53
▸ KDM4E B2RXH2 2/20 0.52
▸ CYP1A2 P05177 1/20 0.52
▸ CYP3A4 P08684 1/20 0.52
▸ CYP2C9 P11712 1/20 0.52
▸ POLB P06746 1/20 0.51
▸ ALDH1A1 P00352 2/20 0.51
▸ APP P05067 1/20 0.51
▸ BCHE P06276 1/20 0.51
▸ ACHE P22303 1/20 0.51
▸ HPGDS O60760 1/20 0.50

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
SCHEMBL30585244 0.83 HTR7 (0.73) HPGDSMN1; SMN2ALOX15TDP1KMT2A
Hydrochloric Acid SCHEMBL8843359 0.80 KDM4E (0.49) SMN1; SMN2LMNACYP2C19KMT2AMEN1
SCHEMBL1313160 0.79 SMN1; SMN2 (0.56) L3MBTL1HPGDSMN1; SMN2CYP2C19KMT2A
SCHEMBL30585248 0.78 ALDH1A1 (0.61) L3MBTL1SMN1; SMN2LMNAKMT2AMEN1
SCHEMBL20069636 0.78 RET (0.54) L3MBTL1LMNACYP2C19KMT2AMEN1
SCHEMBL5013030 0.78 ALDH1A1 (0.71) L3MBTL1HPGDALOX15LMNACYP2C19
SCHEMBL20069293 0.77 RET (0.49) L3MBTL1HPGDALOX15LMNACYP2C19
SCHEMBL30585256 0.76 L3MBTL1 (0.65) L3MBTL1HPGDSMN1; SMN2ALOX15LMNA
SCHEMBL23080118 0.75 HPGD (0.70) HPGDSMN1; SMN2ALOX15TDP1KMT2A
SCHEMBL6025900 0.75 KDM4E (0.52) KDM4EPOLBALDH1A1

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-7501438-B2 Pyridoimidazole derivatives FOREST LABORATORIES HOLDINGS LIMITED (BM) 2009-03-10 — — 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 L3MBTL1 4586/4885HPGD 806/4885SMN1; SMN2 1106/4885

“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.

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