SCHEMBL3699138

SCHEMBL3699138

Cc1ccc(C(O)CN)nc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NOS3 P29474 1/20 0.42
▸ NOS2 P35228 1/20 0.42
▸ CCR1 P32246 1/20 0.40
▸ CCR5 P51681 1/20 0.40
▸ CCR8 P51685 1/20 0.40
▸ HDAC6 Q9UBN7 1/20 0.40
▸ TAAR1 Q96RJ0 3/20 0.39
▸ NFKB1 P19838 2/20 0.39
▸ HTR3A P46098 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ HIF1A Q16665 1/20 0.39
▸ ADRA2A P08913 5/20 0.39
▸ ADRA2B P18089 5/20 0.39
▸ ADRA2C P18825 5/20 0.39
▸ PLAU P00749 1/20 0.39
▸ APEX1 P27695 3/20 0.38
▸ TDP1 Q9NUW8 3/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ PDE10A Q9Y233 1/20 0.36

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
SCHEMBL25160322 0.84 PDE10A (0.45) NOS3NOS2CCR1CCR5CCR8
SCHEMBL26403105 0.81 CCR1 (0.40) NOS3NOS2CCR1CCR5CCR8
SCHEMBL12064394 0.79 CCR1 (0.39) NOS3NOS2CCR1CCR5CCR8
SCHEMBL11424678 0.78 TAAR1 (0.55) TAAR1NFKB1HTR3ATSHRHIF1A
SCHEMBL25160541 0.78 CCR1 (0.38) NOS3NOS2CCR1CCR5CCR8
SCHEMBL279593 0.78 NOS3 (0.36) NOS3NOS2CCR1CCR5CCR8
SCHEMBL14950021 0.77 CCR1 (0.48) NOS3NOS2CCR1CCR5CCR8
SCHEMBL30085317 0.77 APLNR (0.49) TAAR1NFKB1HTR3ATSHRHIF1A
SCHEMBL15856172 0.77 TAAR1 (0.39) TAAR1NFKB1HTR3ATSHRHIF1A
SCHEMBL17611046 0.77 MAOB (0.40) TAAR1NFKB1HTR3ATSHRHIF1A

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
WO-2012064269-A1 COMPOUNDS AND THEIR USE FOR TREATMENT OF Αβ-RELATED DISEASES ASTRAZENECA AB (SE) 2012-05-18 — — WO disclosed
WO-2012064269-A1 COMPOUNDS AND THEIR USE FOR TREATMENT OF Αβ-RELATED DISEASES ASTRAZENECA AB (SE) 2012-05-18 — — WO disclosed
US-20120122843-A1 Compounds and Their Use for Treatment of Amyloid Beta-Related Diseases ASTRAZENECA AB (SE) 2012-05-17 — — US disclosed
US-20120122843-A1 Compounds and Their Use for Treatment of Amyloid Beta-Related Diseases ASTRAZENECA AB (SE) 2012-05-17 — — US disclosed
US-20120122843-A1 Compounds and Their Use for Treatment of Amyloid Beta-Related Diseases ASTRAZENECA AB (SE) 2012-05-17 — — 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-20120122843-A1 Compounds and Their Use for Treatment of Amyloid Beta-Related Diseases APP, BACE1, PSEN1 NOS3 1636/4885NOS2 1429/4885CCR1 4482/4885

“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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