SCHEMBL20695434

SCHEMBL20695434

O=C1CCC2(CN(C(=O)c3ccc(-c4ccc(F)c(F)c4F)cc3)C2)N1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FASN P49327 3/20 0.43
▸ CRBN Q96SW2 1/20 0.36
▸ CECR2 Q9BXF3 1/20 0.36
▸ MGLL Q99685 2/20 0.36
▸ PDCD1LG2 Q9BQ51 3/20 0.35
▸ CD274 Q9NZQ7 3/20 0.35
▸ PARP1 P09874 1/20 0.35
▸ CDK4 P11802 1/20 0.34
▸ CCND1 P24385 1/20 0.34
▸ GPR183 P32249 3/20 0.33
▸ USP2 O75604 2/20 0.33
▸ CYP3A4 P08684 2/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ HIF1A Q16665 1/20 0.33

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
SCHEMBL20695147 0.85 FASN (0.42) FASNCRBNCECR2MGLLPARP1
SCHEMBL20708566 0.84 FASN (0.43) FASNCECR2MGLLCDK4CCND1
SCHEMBL20695167 0.84 MGLL (0.39) FASNCRBNMGLLUSP2CYP3A4
SCHEMBL20695461 0.82 TTR (0.44) CRBNMGLLPDCD1LG2CD274CDK4
SCHEMBL20695378 0.82 SLC6A7 (0.41) MGLLPDCD1LG2CD274ABL1BCR
SCHEMBL20695423 0.81 MGLL (0.41) FASNCRBNMGLLGPR183USP2
SCHEMBL20695308 0.81 PKM (0.38) FASNCRBNCECR2MGLLPDCD1LG2
SCHEMBL20695365 0.81 FASN (0.44) FASNCRBNMGLLGPR183SMN1; SMN2
SCHEMBL20695153 0.81 SLC6A7 (0.42) MGLLGPR183SMN1; SMN2ALDH1A1HPGD
SCHEMBL20695210 0.79 MAPK1 (0.50) FASNCRBNUSP2CYP3A4SMN1; SMN2

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 3889/4885CRBN 3810/4885CECR2 4716/4885
US-10610520-B2 Heterocyclic compound MAG, HTT, ACHE FASN 3889/4885CRBN 3810/4885CECR2 4716/4885

“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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