SCHEMBL20695340

SCHEMBL20695340

O=C1CCC2(CN(C(=O)c3cccc(-c4ccccc4)c3)C2)N1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 2/20 0.50
▸ USP2 O75604 9/20 0.47
▸ CYP3A4 P08684 9/20 0.47
▸ ALDH1A1 P00352 7/20 0.47
▸ SMN1; SMN2 Q16637 6/20 0.47
▸ CYP1A2 P05177 6/20 0.47
▸ HIF1A Q16665 4/20 0.47
▸ HPGD P15428 4/20 0.47
▸ HSD17B10 Q99714 3/20 0.47
▸ MAPK1 P28482 2/20 0.47
▸ SLC6A7 Q99884 1/20 0.45
▸ FAAH O00519 1/20 0.45
▸ NAAA Q02083 1/20 0.45
▸ MEN1 O00255 2/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ CYP2C9 P11712 4/20 0.43
▸ CYP2C19 P33261 4/20 0.43
▸ TSHR P16473 3/20 0.43
▸ MGLL Q99685 1/20 0.43
▸ CYP2D6 P10635 2/20 0.43

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
SCHEMBL20695210 0.88 MAPK1 (0.50) USP2CYP3A4ALDH1A1SMN1; SMN2HIF1A
SCHEMBL20695443 0.83 HTR3E (0.38) BRD4USP2CYP3A4ALDH1A1SMN1; SMN2
SCHEMBL20695155 0.83 SLC6A7 (0.49) SLC6A7MGLL
SCHEMBL20695139 0.82 FASN (0.40) HPGDMGLLGHSRDDB1CRBN
SCHEMBL20695418 0.82 MGLL (0.40) USP2CYP3A4ALDH1A1SMN1; SMN2CYP1A2
SCHEMBL20695312 0.82 MGLL (0.41) ALDH1A1TSHRMGLLGHSR
SCHEMBL20695444 0.82 LMNA (0.43) USP2CYP3A4ALDH1A1SMN1; SMN2CYP1A2
SCHEMBL20695396 0.81 PDCD1LG2 (0.37) BRD4USP2CYP3A4ALDH1A1SMN1; SMN2
SCHEMBL20695496 0.81 MGLL (0.39) BRD4MGLL
SCHEMBL20695447 0.81 MGLL (0.39) BRD4USP2CYP3A4ALDH1A1SMN1; 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 BRD4 1049/4885USP2 4540/4885CYP3A4 4038/4885
US-10610520-B2 Heterocyclic compound MAG, HTT, ACHE BRD4 1049/4885USP2 4540/4885CYP3A4 4038/4885

“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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