SCHEMBL20695457

SCHEMBL20695457

CC1=C(C(=O)N2CC3(CCC(=O)N3)C2)Cc2ccccc21

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HSD11B1 P28845 1/20 0.51
▸ CD274 Q9NZQ7 13/20 0.37
▸ PDCD1LG2 Q9BQ51 6/20 0.37
▸ PDCD1 Q15116 7/20 0.36
▸ TDP2 O95551 1/20 0.35
▸ CASP3 P42574 1/20 0.35
▸ CASP7 P55210 1/20 0.35
▸ CASP9 P55211 1/20 0.35
▸ CASP6 P55212 1/20 0.35
▸ CASP8 Q14790 1/20 0.35
▸ MAP3K14 Q99558 1/20 0.35
▸ CYP11B1 P15538 1/20 0.34
▸ CYP11B2 P19099 1/20 0.34
▸ MGLL Q99685 2/20 0.34
▸ NAMPT P43490 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
SCHEMBL20695157 0.74 MAOA (0.36) CD274PDCD1LG2PDCD1CYP11B1CYP11B2
SCHEMBL20695312 0.70 MGLL (0.41) HSD11B1CD274PDCD1LG2PDCD1MGLL
SCHEMBL20695358 0.70 CD274 (0.40) CD274PDCD1LG2PDCD1MGLL
SCHEMBL20695210 0.70 MAPK1 (0.50) —
SCHEMBL20695310 0.69 ALDH1A1 (0.57) MGLL
SCHEMBL20695121 0.69 CYP2C19 (0.42) MGLL
SCHEMBL20695287 0.69 PRNP (0.41) HSD11B1MGLL
SCHEMBL20695299 0.69 GHSR (0.44) CD274PDCD1LG2MGLL
SCHEMBL20695396 0.69 PDCD1LG2 (0.37) CD274PDCD1LG2MGLL
SCHEMBL20695340 0.68 BRD4 (0.50) MGLL

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 HSD11B1 2121/4885CD274 403/4885PDCD1LG2 488/4885
US-10610520-B2 Heterocyclic compound MAG, HTT, ACHE HSD11B1 2121/4885CD274 403/4885PDCD1LG2 488/4885

“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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