SCHEMBL23671576

SCHEMBL23671576

Nc1cc(F)c2c(c1)N(C(=O)O)CC21CCOCC1

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.32
PDE4B Q07343 1/20 0.32
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 1/20 0.31
ALDH1A1 P00352 1/20 0.31
AKT1 P31749 1/20 0.30
HPGD P15428 1/20 0.30

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
SCHEMBL28516922 0.85 PIK3CA (0.36) HDAC1HDAC2
SCHEMBL23671531 0.85 NOTUM (0.32) NOTUMALDH1A1AKT1HPGD
SCHEMBL23671543 0.76 NOTUM (0.40) NOTUMPDE4BAKT1
SCHEMBL23671574 0.73 NPY2R (0.31)
SCHEMBL28514637 0.71 USP30 (0.35) NOTUM
SCHEMBL30898655 0.67 NOTUM (0.63) NOTUMHDAC1ALDH1A1AKT1
SCHEMBL2123320 0.67 PDE4B (0.34) PDE4BAKT1HPGD
SCHEMBL23671532 0.66 PIK3CA (0.42) NOTUMALDH1A1AKT1
SCHEMBL17242122 0.65 NOTUM (0.49) NOTUMPDE4B
SCHEMBL2123547 0.64 PIK3CA (0.49)

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-11458124-B2 Spirocyclic indane analogues as IL-17 modulators UCBBiopharma Srl (BE) 2022-10-04 US disclosed
US-20210228547-A1 Spirocyclic Indane Analogues as IL-17 Modulators UCB BIOPHARMA SRL (SOCIETE A RESPONSABILITE LIMITEE) (BE) 2021-07-29 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 (2 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-20210228547-A1 Spirocyclic Indane Analogues as IL-17 Modulators IL17A, IL18, IL23R NOTUM 3996/4885PDE4B 2135/4885HDAC1 161/4885
US-11458124-B2 Spirocyclic indane analogues as IL-17 modulators IL17A, IL18, IL23R NOTUM 3996/4885PDE4B 2135/4885HDAC1 161/4885

“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.