SCHEMBL20945342

SCHEMBL20945342

O=C1CCC2(CN(C(=O)c3ccc(-c4ccc(C5(C(F)(F)F)CC5)cc4)cc3)C2)N1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 2/20 0.38
▸ KDM4C Q9H3R0 1/20 0.36
▸ PKM P14618 1/20 0.36
▸ CRBN Q96SW2 3/20 0.34
▸ MLYCD O95822 1/20 0.34
▸ HDAC4 P56524 3/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ DDB1 Q16531 1/20 0.33
▸ FASN P49327 2/20 0.33
▸ CECR2 Q9BXF3 1/20 0.32
▸ NAMPT P43490 1/20 0.32
▸ HDAC6 Q9UBN7 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ SLC6A7 Q99884 1/20 0.32

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
SCHEMBL20708737 0.90 SLC6A7 (0.36) MGLLMEN1KMT2AFASNHPGD
SCHEMBL20695169 0.85 MEN1 (0.47) MGLLMEN1KMT2AHPGDSLC6A7
SCHEMBL20695388 0.82 HRH3 (0.46) MGLLCRBNSLC6A7
SCHEMBL20695191 0.82 RXRA (0.46) MGLLMEN1KMT2AHPGDSLC6A7
SCHEMBL20695210 0.82 MAPK1 (0.50) CRBNMEN1LMNAKMT2ADDB1
SCHEMBL20695153 0.81 SLC6A7 (0.42) MGLLHPGDSLC6A7
SCHEMBL20695446 0.80 HPGD (0.47) MGLLPKMCRBNMEN1KMT2A
SCHEMBL20695136 0.79 KIF11 (0.48) MGLL
SCHEMBL20695167 0.79 MGLL (0.39) MGLLPKMCRBNFASNNAMPT
SCHEMBL20695461 0.78 TTR (0.44) MGLLPKMCRBNDDB1NAMPT

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 3 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

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 MGLL 138/4885KDM4C 2626/4885PKM 2129/4885
US-10610520-B2 Heterocyclic compound MAG, HTT, ACHE MGLL 138/4885KDM4C 2626/4885PKM 2129/4885

“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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