SCHEMBL6637484

SCHEMBL6637484

O=C1Nc2ccc(Cl)cc2[C@]12CCCNC2

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PGR P06401 8/20 0.54
BACE1 P56817 1/20 0.52
PDE7A Q13946 1/20 0.46
IP6K1 Q92551 5/20 0.42
IP6K3 Q96PC2 1/20 0.42
IP6K2 Q9UHH9 1/20 0.42
IDO1 P14902 1/20 0.42
HTR2A P28223 1/20 0.40
PDE4A P27815 2/20 0.40
PDE4B Q07343 2/20 0.40
PDE4C Q08493 2/20 0.40
PDE4D Q08499 2/20 0.40
PDE3B Q13370 2/20 0.40
PDE3A Q14432 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 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
Hydrochloric Acid SCHEMBL6639499 0.99 PGR (0.53) PGRBACE1PDE7AIP6K1IP6K3
SCHEMBL11641485 0.85 PGR (0.71) PGRPDE7AIP6K1IP6K3IP6K2
SCHEMBL5482190 0.83 PGR (0.72) PGRPDE7AIP6K1IP6K3IP6K2
SCHEMBL6637532 0.83 BACE1 (0.52) PGRBACE1HTR2APDE4APDE4B
SCHEMBL4952486 0.82 PGR (0.58) PGRBACE1PDE7AIP6K1IP6K3
Hydrochloric Acid SCHEMBL6639312 0.82 BACE1 (0.51) PGRBACE1HTR2APDE4APDE4B
SCHEMBL26666506 0.81 PGR (0.69) PGRPDE7AIP6K1IP6K3IP6K2
SCHEMBL29860221 0.81 PGR (0.69) PGRPDE7AIP6K1IP6K3IP6K2
Hydrochloric Acid SCHEMBL25355728 0.81 PGR (0.57) PGRBACE1PDE7AIP6K1IP6K3
SCHEMBL17596705 0.80 BACE1 (0.49) PGRBACE1HTR2APDE4APDE4B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040087800-A1 Spirooxindole derivatives are analgesics for the treatment of chronic pain. ASTRAZENECA AB 2004-05-06 US claimed
EP-1202994-B1 NEW COMPOUNDS ASTRAZENECA AB (SE) 2004-04-14 EP claimed
EP-1202994-A1 NEW COMPOUNDS AstraZeneca AB (SE) 2002-05-08 EP claimed
WO-2001005790-A1 NEW COMPOUNDS ASTRAZENECA AB (SE) 2001-01-25 WO claimed
US-6774132-B1 Spirooxindole derivatives that act as analgesics ASTRAZENECA AB (SE) 2004-08-10 US disclosed
EP-1426375-A2 Analgesic spiroindole derivatives AstraZeneca AB (SE) 2004-06-09 EP disclosed
US-20040087800-A1 Spirooxindole derivatives are analgesics for the treatment of chronic pain. ASTRAZENECA AB 2004-05-06 US disclosed
EP-1202994-B1 NEW COMPOUNDS ASTRAZENECA AB (SE) 2004-04-14 EP disclosed
EP-1202994-A1 NEW COMPOUNDS AstraZeneca AB (SE) 2002-05-08 EP disclosed
WO-2001005790-A1 NEW COMPOUNDS ASTRAZENECA AB (SE) 2001-01-25 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-20040087800-A1 Spirooxindole derivatives are analgesics for the treatment of chronic pain. OPRK1, OPRD1, OPRL1 PGR 1652/4885BACE1 4822/4885PDE7A 446/4885

“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.