SCHEMBL17455947

SCHEMBL17455947

CCN1CCN(C(=O)c2ccccc2-c2ccncn2)CC1

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CYP46A1 Q9Y6A2 6/20 0.62
▸ HSD11B1 P28845 1/20 0.49
▸ LMNA P02545 2/20 0.47
▸ SLC6A7 Q99884 1/20 0.47
▸ POLB P06746 1/20 0.47
▸ TSHR P16473 3/20 0.46
▸ ALDH1A1 P00352 2/20 0.46
▸ P2RX7 Q99572 1/20 0.45
▸ L3MBTL1 Q9Y468 2/20 0.44
▸ RECQL P46063 1/20 0.43
▸ UBE2M P61081 1/20 0.43
▸ DCUN1D1 Q96GG9 1/20 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
SCHEMBL17455971 0.88 CYP46A1 (0.64) CYP46A1LMNASLC6A7TSHRALDH1A1
SCHEMBL17455930 0.82 LSS (0.57) CYP46A1LMNATSHRALDH1A1
SCHEMBL17505979 0.77 CYP46A1 (0.48) CYP46A1LMNASLC6A7POLBTSHR
SCHEMBL14840778 0.77 CYP46A1 (1.00) CYP46A1
SCHEMBL14849017 0.75 CYP46A1 (1.00) CYP46A1LMNASLC6A7TSHRALDH1A1
SCHEMBL22719130 0.74 MLNR (0.57) CYP46A1LMNAPOLBALDH1A1
SCHEMBL29453745 0.74 MLNR (0.57) CYP46A1LMNAPOLBALDH1A1
SCHEMBL14840550 0.73 CYP46A1 (0.80) CYP46A1
SCHEMBL14849026 0.73 CYP46A1 (0.75) CYP46A1LMNAALDH1A1L3MBTL1
SCHEMBL14849031 0.73 CYP46A1 (0.85) CYP46A1

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2982666-B1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2019-08-07 — — EP claimed
US-9598398-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-03-21 — — US claimed
EP-2982666-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2016-02-10 — — EP claimed
US-20160024049-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-01-28 — — US claimed
EP-2982666-B1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2019-08-07 — — EP disclosed
US-9598398-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-03-21 — — US disclosed
US-9598398-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-03-21 — — US disclosed
EP-2982666-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2016-02-10 — — EP disclosed
US-20160024049-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-01-28 — — US disclosed
US-20160024049-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-01-28 — — 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 (1 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-20160024049-A1 HETEROCYCLIC COMPOUND PSEN1, PSEN2, BACE1 CYP46A1 915/4885HSD11B1 793/4885LMNA 1584/4885

“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.

Send feedback