SCHEMBL20695453

SCHEMBL20695453

O=C1CCC2(CN(C(=O)c3ccc(-c4cc(Cl)ccc4Cl)cc3)C2)N1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FASN P49327 4/20 0.45
▸ GPR183 P32249 6/20 0.39
▸ MGLL Q99685 3/20 0.39
▸ ABL1 P00519 1/20 0.36
▸ BCR P11274 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ EIF4A3 P38919 1/20 0.36
▸ IP6K1 Q92551 2/20 0.35
▸ IP6K3 Q96PC2 1/20 0.35
▸ IP6K2 Q9UHH9 1/20 0.35
▸ PDE5A O76074 1/20 0.35
▸ PDE4A P27815 1/20 0.35
▸ PDE1A P54750 1/20 0.35
▸ PDE1B Q01064 1/20 0.35

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
SCHEMBL20695365 0.91 FASN (0.44) FASNGPR183MGLLABL1BCR
SCHEMBL20695192 0.89 MGLL (0.48) FASNGPR183MGLLABL1BCR
SCHEMBL20695373 0.89 PKM (0.41) FASNMGLLLMNAGAAPDE5A
SCHEMBL20695153 0.87 SLC6A7 (0.42) GPR183MGLLALDH1A1GAAMAPT
SCHEMBL20695188 0.86 FASN (0.50) FASNMGLLSMN1; SMN2PDE3A
SCHEMBL20695155 0.83 SLC6A7 (0.49) MGLLPDE4B
SCHEMBL20695459 0.83 FASN (0.43) FASNMGLLLMNAGAAPDE5A
SCHEMBL20708621 0.80 SLC6A7 (0.41) GPR183MGLLALDH1A1IP6K1IP6K3
SCHEMBL20695139 0.80 FASN (0.40) FASNMGLLPDE4B
SCHEMBL20695147 0.80 FASN (0.42) FASNMGLLABL1BCR

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
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
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 FASN 3889/4885GPR183 1160/4885MGLL 138/4885
US-10610520-B2 Heterocyclic compound MAG, HTT, ACHE FASN 3889/4885GPR183 1160/4885MGLL 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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