SCHEMBL7674448

SCHEMBL7674448

CC(C(=O)O)c1ccc(C(=O)c2ccc(Cl)cc2)n1Cc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.46
MAPT P10636 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
DRD2 P14416 2/20 0.40
DRD3 P35462 2/20 0.40
CCR2 P41597 1/20 0.40
DRD4 P21917 1/20 0.40
RECQL P46063 1/20 0.40
PPARG P37231 4/20 0.40
PPARA Q07869 4/20 0.40
CYP2C9 P11712 1/20 0.40
EGFR P00533 1/20 0.40
CHRM4 P08173 1/20 0.40
ADRB1 P08588 1/20 0.40
ADRA2A P08913 1/20 0.40
ALOX5 P09917 1/20 0.40
ADRB3 P13945 1/20 0.40
ADRA2B P18089 1/20 0.40
CHRM3 P20309 1/20 0.40
TACR2 P21452 1/20 0.40

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
SCHEMBL7682815 0.85 HTT (0.41) CYP2C9TSHR
SCHEMBL7684815 0.84 MAPK1 (0.48) CNR2MAPTL3MBTL1CYP2C9OPRK1
SCHEMBL7683639 0.84 ALDH1A1 (0.43) MAPTCCR2RECQLMEN1TSHR
SCHEMBL11811400 0.82 HRH3 (0.46) ADRA2A
SCHEMBL11812867 0.81 PSEN1 (0.44) CNR2
SCHEMBL7678015 0.78 HTT (0.48)
SCHEMBL7678297 0.78 ALDH1A1 (0.45) MAPTDRD3RECQLCYP2C9ADRA2A
SCHEMBL11807122 0.76 CNR2 (0.43) CNR2MAPTL3MBTL1RECQL
SCHEMBL7682189 0.76 PTGS2 (0.49) CNR2MAPTL3MBTL1DRD2DRD3
SCHEMBL11806998 0.76 MAPK1 (0.47) CNR2MAPTL3MBTL1CYP2C9OPRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6455703-B2 ADMINISTERING EFFECTIVE AMOUNT OF 1,3,6-TRIHYDRO-6-AZA-3-OXAPENTALEN-2-ONE DERIVATIVE TO THE PATIENT FOR INDUCING OR PROMOTING APOPTOSIS AND FOR ARRESTING UNCONTROLLED NEOPLASTIC CELL PROLIFERATION CELL PATHWAYS, INC. 2002-09-24 US disclosed
US-20010051651-A1 1,3,6,-trihydro-6-aza-3-oxapentalen-2-one derivatives for the treatment of neoplasia OSI PHARMACEUTICALS, INC. 2001-12-13 US disclosed
US-6160003-A 1,3,6-trihydro-6-aza-3-oxapentalen-2-one derivatives for the treatment of neoplasia CELL PATHWAYS, INC. (US) 2000-12-12 US disclosed
US-5939417-A 1,3,6-trihydro-6-aza-3-oxapentalen-2-one derivatives for the treatment of neoplasia CELL PATHWAYS INC (US) 1999-08-17 US disclosed
US-3952012-A MULTISTAGE MCNEIL LABORATORIES, INCORPORATED (US) 1976-04-20 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-20010051651-A1 1,3,6,-trihydro-6-aza-3-oxapentalen-2-one derivatives for the treatment of neoplasia MALT1, VHL, CDKN1A CNR2 4197/4885MAPT 4570/4885L3MBTL1 1764/4885

“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.