SCHEMBL20695378

SCHEMBL20695378

O=C1CCC2(CN(C(=O)c3ccc(-c4cccc(C(F)(F)F)c4F)cc3)C2)N1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ SLC6A7 Q99884 1/20 0.41
▸ GRIN2B Q13224 6/20 0.38
▸ GRIN1 Q05586 2/20 0.38
▸ GHSR Q92847 1/20 0.38
▸ ABL1 P00519 4/20 0.37
▸ BCR P11274 4/20 0.37
▸ CD274 Q9NZQ7 3/20 0.36
▸ PDCD1LG2 Q9BQ51 1/20 0.36
▸ CREBBP Q92793 2/20 0.35
▸ BRD4 O60885 1/20 0.35
▸ PDCD1 Q15116 2/20 0.35
▸ EPHX2 P34913 1/20 0.34
▸ MGLL Q99685 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
SCHEMBL20695213 0.89 SLC6A7 (0.41) SLC6A7GHSRABL1BCRCD274
SCHEMBL20695434 0.82 FASN (0.43) ABL1BCRCD274PDCD1LG2MGLL
SCHEMBL20695136 0.81 KIF11 (0.48) ABL1BCRMGLL
SCHEMBL20695385 0.81 AR (0.38) GRIN2BABL1BCRMGLL
SCHEMBL20695461 0.80 TTR (0.44) ABL1BCRCD274PDCD1LG2MGLL
SCHEMBL20695169 0.80 MEN1 (0.47) SLC6A7EPHX2MGLL
SCHEMBL20695404 0.80 FFAR4 (0.42) MGLL
SCHEMBL20695358 0.79 CD274 (0.40) SLC6A7GHSRABL1BCRCD274
SCHEMBL20695147 0.78 FASN (0.42) ABL1BCRMGLL
SCHEMBL20695210 0.78 MAPK1 (0.50) SLC6A7GHSR

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 SLC6A7 2433/4885GRIN2B 32/4885GRIN1 17/4885
US-10610520-B2 Heterocyclic compound MAG, HTT, ACHE SLC6A7 2433/4885GRIN2B 32/4885GRIN1 17/4885

“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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