SCHEMBL17455996

SCHEMBL17455996

Cc1ccc(-c2ccncc2)c(C(=O)N2CCN(Cc3ccccc3)CC2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CYP46A1 Q9Y6A2 14/20 1.00
▸ ALDH1A1 P00352 3/20 0.58
▸ KDM4E B2RXH2 2/20 0.58
▸ POLB P06746 1/20 0.58
▸ HTT P42858 1/20 0.53
▸ MEN1 O00255 1/20 0.52
▸ KMT2A Q03164 1/20 0.52

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
SCHEMBL17456008 0.88 CYP46A1 (0.78) CYP46A1ALDH1A1KDM4EPOLBHTT
SCHEMBL17455981 0.85 CYP46A1 (0.74) CYP46A1ALDH1A1POLBHTT
SCHEMBL17455928 0.85 CYP46A1 (1.00) CYP46A1
SCHEMBL14840281 0.82 CYP46A1 (1.00) CYP46A1
SCHEMBL14849038 0.80 CYP46A1 (1.00) CYP46A1
SCHEMBL14840775 0.78 CYP46A1 (0.72) CYP46A1ALDH1A1KDM4EHTT
SCHEMBL17505980 0.77 LSS (0.70) CYP46A1ALDH1A1KDM4EHTT
SCHEMBL14841158 0.77 CYP46A1 (0.79) CYP46A1ALDH1A1KDM4EHTT
SCHEMBL14849010 0.76 CYP46A1 (1.00) CYP46A1ALDH1A1KDM4EHTT
SCHEMBL25961329 0.76 KDM4E (0.65) CYP46A1ALDH1A1KDM4EPOLBHTT

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 disclosed
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
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
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
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 915/4885ALDH1A1 65/4885KDM4E 764/4885

“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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