SCHEMBL5024441

SCHEMBL5024441

CCOCC1CCCN1c1cc(C)nc2cc(N)ccc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 3/20 0.40
ADORA1 P30542 3/20 0.40
NQO2 P16083 2/20 0.37
NR1I2 O75469 2/20 0.36
SMARCA2 P51531 2/20 0.36
SMARCA4 P51532 2/20 0.36
PBRM1 Q86U86 2/20 0.36
NR1H2 P55055 1/20 0.36
NR1H3 Q13133 1/20 0.36
SHMT2 P34897 2/20 0.35
NCF1 P14598 3/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
ELANE P08246 1/20 0.34
TERT O14746 1/20 0.34
ABCB11 O95342 1/20 0.34
LMNA P02545 1/20 0.34
THRB P10828 1/20 0.34
BLM P54132 1/20 0.34
ALDH1A1 P00352 2/20 0.34

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
Hydrochloric Acid SCHEMBL5028649 0.99 ADORA2A (0.39) ADORA2AADORA1NQO2NR1I2SMARCA2
SCHEMBL5091471 0.89 ADORA2A (0.46) ADORA2AADORA1NQO2
SCHEMBL5022604 0.89 ADORA2A (0.46) ADORA2AADORA1NQO2
SCHEMBL27616502 0.87 ADORA2A (0.40) ADORA2AADORA1NCF1MEN1KMT2A
Hydrochloric Acid SCHEMBL5024371 0.86 ADORA2A (0.39) ADORA2AADORA1NCF1MEN1KMT2A
Hydrochloric Acid SCHEMBL5024369 0.86 ADORA2A (0.39) ADORA2AADORA1NCF1MEN1KMT2A
SCHEMBL5025400 0.84 CCNE2 (0.42) ADORA2AADORA1NQO2NR1I2SMARCA2
SCHEMBL5084730 0.84 CCNE2 (0.42) ADORA2AADORA1NQO2NR1I2SMARCA2
SCHEMBL5024573 0.81 CTNNB1 (0.40) ADORA2AADORA1TERTGFER
SCHEMBL5024575 0.81 CTNNB1 (0.40) ADORA2AADORA1TERTGFER

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1474145-B1 QUINOLINE DERIVATIVES AS NPY ANTAGONISTS HOFFMANN LA ROCHE (CH) 2008-04-23 EP disclosed
CN-1627945-A Quinoline derivatives as NPY antagonists HOFFMANN LA ROCHE (CH) 2005-06-15 CN disclosed
EP-1474145-A1 QUINOLINE DERIVATIVES AS NPY ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2004-11-10 EP disclosed
US-6696467-B2 Quinoline derivatives HOFFMANN-LA ROCHE INC. 2004-02-24 US disclosed
US-20030153553-A1 Quinoline derivatives F. HOFFMANN-LA ROCHE AG (CH) 2003-08-14 US disclosed
WO-2003066055-A1 QUINOLINE DERIVATIVES AS NPY ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2003-08-14 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 (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-20030153553-A1 Quinoline derivatives NPY1R, NPY4R, GLP1R ADORA2A 4036/4885ADORA1 1826/4885NQO2 67/4885

“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.