SCHEMBL17455941

SCHEMBL17455941

O=S(=O)(c1ccccc1)N1CCC(Oc2cccnc2-c2ccncn2)C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MCHR1 Q99705 1/20 0.41
▸ HTR2C P28335 2/20 0.41
▸ KCNH2 Q12809 2/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ PIK3CD O00329 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ NAMPT P43490 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ THRB P10828 1/20 0.38
▸ PTGDR Q13258 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ JAK2 O60674 1/20 0.37
▸ JAK1 P23458 1/20 0.37
▸ MEN1 O00255 1/20 0.36

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
SCHEMBL17455959 0.92 MCHR1 (0.42) MCHR1HTR2CKCNH2RAB9ANAMPT
SCHEMBL17455979 0.87 MCHR1 (0.43) MCHR1HTR2CKCNH2NPC1RAB9A
SCHEMBL17455995 0.87 GPR119 (0.36) MCHR1HTR2CKCNH2PIK3CDNAMPT
SCHEMBL17456007 0.80 TDP1 (0.47) HTR2CKCNH2NPC1RAB9ATDP1
SCHEMBL17455952 0.79 KDM4E (0.47) MCHR1HTR2CKCNH2ALDH1A1KDM4E
SCHEMBL17456044 0.79 MCHR1 (0.44) MCHR1HTR2CKCNH2RAB9ANAMPT
SCHEMBL17456004 0.77 SMN1; SMN2 (0.52) MCHR1NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL17455929 0.76 CHRM1 (0.40) MCHR1HTR2CKCNH2PIK3CDCYP3A4
SCHEMBL17455974 0.75 SMN1; SMN2 (0.50) MCHR1KCNH2TDP1SMN1; SMN2ALDH1A1
SCHEMBL17456012 0.75 IKBKB (0.38) MCHR1HTR2CKCNH2PIK3CDNAMPT

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 MCHR1 2123/4885HTR2C 1462/4885KCNH2 706/4885

“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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