SCHEMBL6638563

SCHEMBL6638563

O=C1Nc2ncccc2C12CC=CCNC2

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CALCA P06881 5/20 0.39
▸ BACE1 P56817 1/20 0.35
▸ CALCRL Q16602 10/20 0.34
▸ RAMP1 O60894 2/20 0.34
▸ NPC1 O15118 1/20 0.33
▸ ADM2 Q7Z4H4 2/20 0.32
▸ RAMP3 O60896 1/20 0.32
▸ CALCR P30988 1/20 0.32
▸ CALCB P10092 1/20 0.32

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
SCHEMBL1435883 0.87 CALCA (0.41) CALCACALCRLRAMP1NPC1ADM2
SCHEMBL16235885 0.77 CALCA (0.46) CALCACALCRLNPC1ADM2CALCB
SCHEMBL6633546 0.77 BACE1 (0.60) BACE1
Hydrochloric Acid SCHEMBL6637596 0.75 BACE1 (0.59) BACE1
Hydrochloric Acid SCHEMBL6641315 0.75 BACE1 (0.59) BACE1
SCHEMBL550356 0.75 CALCA (0.50) CALCABACE1CALCRLNPC1
SCHEMBL15999444 0.74 CALCA (0.44) CALCACALCRLRAMP1NPC1
SCHEMBL31456516 0.74 CALCA (0.44) CALCACALCRLRAMP1NPC1
SCHEMBL15699749 0.74 CALCA (0.44) CALCACALCRLRAMP1NPC1
SCHEMBL30087869 0.74 CALCA (0.44) CALCACALCRLRAMP1NPC1

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 2 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

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 CALCA 506/4885BACE1 4822/4885CALCRL 420/4885

“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.

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