SCHEMBL6783753

SCHEMBL6783753

O=C1CCCN1Cc1cc(-c2cccnc2)no1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2E1 P05181 1/20 0.55
CYP2A6 P11509 1/20 0.55
CYP2C9 P11712 1/20 0.55
CYP2B6 P20813 1/20 0.55
CYP2C19 P33261 1/20 0.55
CA12 O43570 1/20 0.52
CA9 Q16790 1/20 0.52
IL4I1 Q96RQ9 2/20 0.47
MAPT P10636 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CYP11B1 P15538 3/20 0.43
CYP11B2 P19099 3/20 0.43
PIM1 P11309 2/20 0.42
ADRA1D P25100 6/20 0.42
ADRA1A P35348 6/20 0.42
ALDH1A1 P00352 1/20 0.42
TSHR P16473 1/20 0.42
ADRA1B P35368 3/20 0.41
KDM4E B2RXH2 1/20 0.41
PORCN Q9H237 2/20 0.39

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
SCHEMBL4312189 0.76 CYP2A6 (0.61) CYP2E1CYP2A6CYP2C9CYP2B6CYP2C19
SCHEMBL7287505 0.74 L3MBTL1 (0.58) MAPTCYP11B1CYP11B2ALDH1A1TSHR
SCHEMBL30948248 0.73 IL4I1 (0.48) CYP2E1CYP2A6CYP2C9CYP2B6CYP2C19
Hydrochloric Acid SCHEMBL5578157 0.72 L3MBTL1 (0.56) MAPTCYP11B1CYP11B2ALDH1A1TSHR
SCHEMBL2121672 0.72 CYP2A6 (1.00) CYP2E1CYP2A6CYP2C9CYP2B6CYP2C19
SCHEMBL2305968 0.72 CYP2A6 (0.72) CYP2E1CYP2A6CYP2C9CYP2B6CYP2C19
SCHEMBL27163520 0.72 CYP2A6 (0.72) CYP2E1CYP2A6CYP2C9CYP2B6CYP2C19
SCHEMBL10162470 0.72 CYP2A6 (0.72) CYP2E1CYP2A6CYP2C9CYP2B6CYP2C19
SCHEMBL13616481 0.71 CYP2A6 (0.52) CYP2E1CYP2A6CYP2C9CYP2B6CYP2C19
Hydrochloric Acid SCHEMBL3606661 0.71 CYP2A6 (0.97) CYP2E1CYP2A6CYP2C9CYP2B6CYP2C19

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-6759419-B2 NOOTROPIC AGENTS; BRAIN DISORDERS; ALZHEIMER'S DISEASE KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2004-07-06 US claimed
US-20030114491-A1 Pyrrolidinone derivatives, their preparation and pharmaceutical composition comprising the same KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2003-06-19 US claimed
US-6759419-B2 NOOTROPIC AGENTS; BRAIN DISORDERS; ALZHEIMER'S DISEASE KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2004-07-06 US disclosed
US-20030114491-A1 Pyrrolidinone derivatives, their preparation and pharmaceutical composition comprising the same KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2003-06-19 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-20030114491-A1 Pyrrolidinone derivatives, their preparation and pharmaceutical composition comprising the same CHRM1, CHRNA5, CHRNA7 CYP2E1 1178/4885CYP2A6 503/4885CYP2C9 600/4885

“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.