SCHEMBL17456065

SCHEMBL17456065

COc1ccc(CC(=O)N2CCC(Oc3ccccc3-c3ccncn3)CC2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 4/20 0.49
▸ L3MBTL1 Q9Y468 2/20 0.49
▸ HSD17B10 Q99714 2/20 0.49
▸ NPSR1 Q6W5P4 1/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ ALDH1A1 P00352 5/20 0.48
▸ LMNA P02545 2/20 0.48
▸ RAB9A P51151 1/20 0.48
▸ NAMPT P43490 1/20 0.46
▸ MAPT P10636 1/20 0.45
▸ GAA P10253 2/20 0.43
▸ SIGMAR1 Q99720 1/20 0.43
▸ KMT2A Q03164 2/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ NTRK1 P04629 1/20 0.42
▸ KCNH2 Q12809 1/20 0.42
▸ NTRK3 Q16288 1/20 0.42
▸ NTRK2 Q16620 1/20 0.42
▸ PARP1 P09874 1/20 0.41
▸ GPR183 P32249 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
SCHEMBL17456013 0.82 NAMPT (0.47) HSD17B10ALDH1A1NAMPT
SCHEMBL17455982 0.80 HPGD (0.51) HPGDL3MBTL1HSD17B10NPSR1SMN1; SMN2
SCHEMBL17455984 0.78 NAMPT (0.45) NAMPTMAPTKMT2A
SCHEMBL17456063 0.76 TMEM97 (0.48) SMN1; SMN2NAMPTGAASIGMAR1
SCHEMBL17456017 0.74 NAMPT (0.53) HPGDL3MBTL1HSD17B10NPSR1SMN1; SMN2
SCHEMBL17455946 0.74 CDK9 (0.47) KMT2AMEN1
SCHEMBL17455963 0.73 SMN1; SMN2 (0.52) SMN1; SMN2GAAKMT2AMEN1KCNH2
SCHEMBL15755587 0.73 HPGD (0.65) HPGDL3MBTL1HSD17B10NPSR1SMN1; SMN2
SCHEMBL17455939 0.71 IKBKB (0.48) HSD17B10ALDH1A1NAMPT
SCHEMBL17455930 0.70 LSS (0.57) HPGDSMN1; SMN2ALDH1A1LMNAMAPT

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 9 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
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 HPGD 226/4885L3MBTL1 2698/4885HSD17B10 658/4885

“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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