SCHEMBL7684736

SCHEMBL7684736

CCC1C(=O)Oc2cc(C(=O)c3ccc(F)cc3)n(C)c21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.34
MAPT P10636 5/20 0.34
HRH3 Q9Y5N1 2/20 0.34
RXFP1 Q9HBX9 2/20 0.34
ALDH1A1 P00352 4/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
KDM4E B2RXH2 3/20 0.33
HPGD P15428 3/20 0.33
NPC1 O15118 3/20 0.33
LMNA P02545 2/20 0.33
RAB9A P51151 2/20 0.33
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
HTR1A P08908 1/20 0.33
CHRM5 P08912 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
HRH2 P25021 1/20 0.33
HTR1D P28221 1/20 0.33
HTR2A P28223 1/20 0.33

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
SCHEMBL7675490 0.82 HPGD (0.37) MAPTHRH3ALDH1A1SMN1; SMN2KDM4E
SCHEMBL7680776 0.80 ALDH1A1 (0.39) MAPTALDH1A1SMN1; SMN2HPGDLMNA
SCHEMBL7678095 0.78 ALDH1A1 (0.40) MAPTALDH1A1SMN1; SMN2KDM4EHPGD
SCHEMBL7678067 0.76 CXCL8 (0.41) MAPTHRH3ALDH1A1SMN1; SMN2HPGD
SCHEMBL7678781 0.76 HTT (0.46) MAPTRXFP1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL7678489 0.75 HTT (0.46) MAPTHRH3ALDH1A1SMN1; SMN2NPC1
SCHEMBL7678105 0.73 TDP1 (0.38) MAPTALDH1A1NPC1CHRM2CHRM3
SCHEMBL7680382 0.72 ALDH1A1 (0.38) MAPTALDH1A1SMN1; SMN2
SCHEMBL7681406 0.70 NPC1 (0.39) ATMMAPTHRH3ALDH1A1SMN1; SMN2
SCHEMBL7674662 0.69 HTT (0.39) MAPTHRH3ALDH1A1SMN1; SMN2NPC1

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-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

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 ATM 3015/4885MAPT 4570/4885HRH3 1674/4885

“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.