SCHEMBL20695504

SCHEMBL20695504

O=C1CCC2(CN(C(=O)c3csc4ccccc34)C2)N1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 2/20 0.54
▸ LMNA P02545 1/20 0.54
▸ HPGD P15428 1/20 0.54
▸ HSD17B10 Q99714 3/20 0.51
▸ CASP1 P29466 1/20 0.51
▸ CASP7 P55210 1/20 0.51
▸ ALDH1A1 P00352 5/20 0.48
▸ MAPT P10636 2/20 0.44
▸ ACACB O00763 1/20 0.43
▸ ALOX15 P16050 1/20 0.43
▸ RECQL P46063 1/20 0.43
▸ CYP1A2 P05177 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ HDAC3 O15379 1/20 0.41
▸ HDAC4 P56524 1/20 0.41
▸ HDAC1 Q13547 1/20 0.41
▸ HDAC7 Q8WUI4 1/20 0.41
▸ HDAC2 Q92769 1/20 0.41
▸ HDAC10 Q969S8 1/20 0.41

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
SCHEMBL20695414 0.85 LMNA (0.38) HTTLMNAHPGDHSD17B10CASP1
SCHEMBL20695287 0.77 PRNP (0.41) LMNAHPGDALDH1A1MAPTCYP1A2
SCHEMBL20695288 0.77 ALDH1A1 (0.55) LMNAHPGDALDH1A1MAPTRECQL
SCHEMBL20695395 0.75 CHRNA7 (0.42) SMN1; SMN2CRBN
SCHEMBL20695172 0.74 HRH4 (0.52) ALDH1A1CYP2D6HDAC3HDAC4HDAC1
SCHEMBL20695128 0.73 HDAC6 (0.41) HPGDHSD17B10ALDH1A1CYP1A2CYP2D6
SCHEMBL20695443 0.72 HTR3E (0.38) HPGDHSD17B10ALDH1A1CYP1A2CYP2D6
SCHEMBL20695223 0.72 ALDH1A1 (0.59) ALDH1A1
SCHEMBL31181987 0.72 HTT (0.97) HTTLMNAHPGDHSD17B10CASP1
SCHEMBL20695210 0.71 MAPK1 (0.50) LMNAHPGDHSD17B10ALDH1A1CYP2D6

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 4 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

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 HTT 2/4885LMNA 932/4885HPGD 509/4885
US-10610520-B2 Heterocyclic compound MAG, HTT, ACHE HTT 2/4885LMNA 932/4885HPGD 509/4885

“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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