SCHEMBL22729594

SCHEMBL22729594

Cc1cn(CC(F)(F)F)c(=O)c2c(C(=O)N3CCC(Oc4ccc(Cl)cc4)CC3)cnn12

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SPR P35270 1/20 0.38
▸ CNR1 P21554 3/20 0.38
▸ KCNH2 Q12809 1/20 0.38
▸ MCHR1 Q99705 1/20 0.38
▸ EPHX2 P34913 2/20 0.38
▸ HRH1 P35367 1/20 0.38
▸ CCR3 P51677 1/20 0.38
▸ FPR2 P25090 2/20 0.37
▸ PROKR1 Q8TCW9 2/20 0.37
▸ MDM2 Q00987 1/20 0.37
▸ FFAR1 O14842 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ HRH3 Q9Y5N1 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ TP53 P04637 1/20 0.36
▸ THRB P10828 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
SCHEMBL22729461 0.86 KCNH2 (0.41) SPRCNR1KCNH2MCHR1EPHX2
SCHEMBL22729427 0.86 KCNH2 (0.44) KCNH2MCHR1KDM4EALDH1A1HPGD
SCHEMBL22729571 0.81 CNR1 (0.41) SPRCNR1
SCHEMBL29839366 0.81 CNR1 (0.41) SPRCNR1
SCHEMBL22729604 0.80 NTRK1 (0.43) SPRCNR1KCNH2EPHX2FPR2
SCHEMBL22729848 0.79 PRKAA2 (0.44) SPRCNR1EPHX2FPR2PROKR1
SCHEMBL22729794 0.79 MAPT (0.45) SPRKCNH2MCHR1KDM4EHPGD
SCHEMBL22729645 0.78 CACNB4 (0.45) SPRCNR1ALDH1A1LMNATP53
SCHEMBL29839340 0.78 CACNB4 (0.45) SPRCNR1ALDH1A1LMNATP53
SCHEMBL22729599 0.77 MAPT (0.39) CNR1EPHX2ALDH1A1HRH3LMNA

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-11459325-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2022-10-04 — — US disclosed
US-20210087186-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2021-03-25 — — US disclosed
US-20210087186-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2021-03-25 — — US disclosed
EP-3747885-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2020-12-09 — — 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-20210087186-A1 HETEROCYCLIC COMPOUND GBA1, GBA2, GALC SPR 4788/4885CNR1 856/4885KCNH2 2434/4885
US-11459325-B2 Heterocyclic compound GBA1, GBA2, GALC SPR 4784/4885CNR1 851/4885KCNH2 2533/4885

“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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