SCHEMBL6637532

SCHEMBL6637532

O=C1Nc2ccc(F)cc2C12CCCNC2

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.52
PGR P06401 14/20 0.48
CYP1A2 P05177 1/20 0.48
MAPT P10636 1/20 0.48
CYP2C19 P33261 1/20 0.48
KMT2A Q03164 1/20 0.48
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

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 SCHEMBL6639312 0.99 BACE1 (0.51) BACE1PGRCYP1A2MAPTCYP2C19
SCHEMBL29609794 0.85 PGR (0.58) PGRCYP1A2MAPTCYP2C19KMT2A
SCHEMBL25399999 0.85 PGR (0.58) PGRCYP1A2MAPTCYP2C19KMT2A
SCHEMBL4715658 0.83 PGR (0.59) PGRCYP1A2MAPTCYP2C19KMT2A
SCHEMBL6637484 0.83 PGR (0.54) BACE1PGRKMT2AHTR2APDE4A
SCHEMBL17596705 0.82 BACE1 (0.49) BACE1PGRHTR2APDE4APDE4B
SCHEMBL1950989 0.82 CYP1A2 (0.53) BACE1PGRCYP1A2MAPTCYP2C19
Hydrochloric Acid SCHEMBL6639499 0.82 PGR (0.53) BACE1PGRKMT2AHTR2APDE4A
SCHEMBL2268702 0.81 CYP1A2 (0.63) PGRCYP1A2MAPTCYP2C19KMT2A
SCHEMBL7504206 0.80 BACE1 (0.47) BACE1PGRHTR2APDE4APDE4B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1426375-A2 Analgesic spiroindole derivatives AstraZeneca AB (SE) 2004-06-09 EP claimed
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 BACE1 4822/4885PGR 1652/4885CYP1A2 174/4885

“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.