SCHEMBL20695328

SCHEMBL20695328

O=C1CCC2(CN(C(=O)c3ccc(-c4ccc(C(F)(F)F)c(Cl)c4)cc3)C2)N1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 2/20 0.41
▸ BCR P11274 2/20 0.41
▸ MGLL Q99685 7/20 0.39
▸ PDE5A O76074 2/20 0.38
▸ PDE1A P54750 2/20 0.38
▸ PDE1B Q01064 2/20 0.38
▸ PDE4D Q08499 2/20 0.38
▸ PDE7A Q13946 2/20 0.38
▸ PDE1C Q14123 2/20 0.38
▸ PDE3A Q14432 2/20 0.38
▸ PDE4A P27815 1/20 0.38
▸ PDE4B Q07343 1/20 0.38
▸ PDE4C Q08493 1/20 0.38
▸ PDE7B Q9NP56 1/20 0.38
▸ GPR183 P32249 1/20 0.37
▸ KMO O15229 2/20 0.35
▸ ERN1 O75460 1/20 0.35
▸ KIF11 P52732 1/20 0.34
▸ ALK Q9UM73 1/20 0.34
▸ HSD11B1 P28845 1/20 0.34

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
SCHEMBL20695131 0.92 ABL1 (0.48) ABL1BCRMGLLPDE5APDE1A
SCHEMBL20695136 0.88 KIF11 (0.48) ABL1BCRMGLLGPR183ERN1
SCHEMBL20695385 0.86 AR (0.38) ABL1BCRMGLLGPR183ERN1
SCHEMBL20695169 0.83 MEN1 (0.47) MGLLGPR183KIF11HSD11B1
SCHEMBL20695191 0.83 RXRA (0.46) MGLLGPR183
SCHEMBL20695153 0.82 SLC6A7 (0.42) MGLLGPR183
SCHEMBL20695263 0.82 FASN (0.43) ABL1BCRMGLLGPR183FASN
SCHEMBL20695213 0.82 SLC6A7 (0.41) ABL1BCR
SCHEMBL20695155 0.81 SLC6A7 (0.49) MGLLPDE4B
SCHEMBL20695210 0.78 MAPK1 (0.50) FASN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10610520-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2020-04-07 — — US disclosed
US-20190125728-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2019-05-02 — — US disclosed
US-20190125728-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2019-05-02 — — US disclosed
EP-3438109-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2019-02-06 — — EP 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-20190125728-A1 HETEROCYCLIC COMPOUND MAG, HTT, ACHE ABL1 4156/4885BCR 3320/4885MGLL 138/4885
US-10610520-B2 Heterocyclic compound MAG, HTT, ACHE ABL1 4156/4885BCR 3320/4885MGLL 138/4885

“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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