SCHEMBL7020197

SCHEMBL7020197

CNC(=O)CC1CN(c2ccnc(C)c2)CCN1C(=O)OCc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 12/20 0.42
▸ TMEM97 Q5BJF2 10/20 0.42
▸ HDAC1 Q13547 3/20 0.41
▸ SLC6A4 P31645 2/20 0.41
▸ HDAC2 Q92769 2/20 0.41
▸ HDAC3 O15379 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ SLC6A3 Q01959 1/20 0.41
▸ MAPKAPK3 Q16644 1/20 0.41
▸ HDAC8 Q9BY41 1/20 0.41
▸ HTR1A P08908 1/20 0.41
▸ ADRA2A P08913 1/20 0.41
▸ ADRA2B P18089 1/20 0.41
▸ ADRA2C P18825 1/20 0.41
▸ DRD1 P21728 1/20 0.41
▸ HRH2 P25021 1/20 0.41
▸ HTR1B P28222 1/20 0.41
▸ HTR2A P28223 1/20 0.41
▸ HTR2C P28335 1/20 0.41
▸ HTR1E P28566 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
SCHEMBL7016352 0.91 SIGMAR1 (0.45) SIGMAR1TMEM97HDAC1SLC6A4HDAC2
SCHEMBL7010020 0.88 SIGMAR1 (0.46) SIGMAR1TMEM97SLC6A3HTR1AHRH2
SCHEMBL7013241 0.88 SIGMAR1 (0.42) SIGMAR1TMEM97HDAC1SLC6A4HDAC2
SCHEMBL7016513 0.86 NR1H2 (0.48) SIGMAR1TMEM97HDAC1SLC6A4HDAC2
SCHEMBL7016082 0.83 NPSR1 (0.46) SIGMAR1TMEM97HDAC1SLC6A4HDAC2
SCHEMBL21590367 0.77 NR1H2 (0.51) SIGMAR1TMEM97SLC6A4HTR1AADRA2A
SCHEMBL21594457 0.77 NR1H2 (0.51) SIGMAR1TMEM97SLC6A4HTR1AADRA2A
SCHEMBL13870702 0.74 PREP (0.54) —
SCHEMBL7015153 0.73 MAPT (0.42) —
SCHEMBL16691342 0.73 ALDH1A1 (0.48) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030187023-A1 Sulfone derivatives, process for their production and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2003-10-02 — — US disclosed
EP-1302462-A1 SULFONE DERIVATIVES, PROCESS FOR THEIR PRODUCTION AND USE THEREOF Takeda Chemical Industries, Ltd. (JP) 2003-04-16 — — 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 (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-20030187023-A1 Sulfone derivatives, process for their production and use thereof SULT1E1, RRS1, SHH SIGMAR1 270/4885TMEM97 3732/4885HDAC1 1405/4885

“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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