SCHEMBL1970179

SCHEMBL1970179

CC(C)(C)OC(=O)N(CCO[Si](C)(C)C(C)(C)C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 2/20 0.38
CACNA1C Q13936 2/20 0.38
CACNA1G O43497 1/20 0.38
F2 P00734 4/20 0.36
TACR1 P25103 3/20 0.34
DGAT1 O75907 3/20 0.34
PSEN1 P49768 2/20 0.34
PSEN2 P49810 2/20 0.34
APH1B Q8WW43 2/20 0.34
NCSTN Q92542 2/20 0.34
APH1A Q96BI3 2/20 0.34
PSENEN Q9NZ42 2/20 0.34
RXRA P19793 2/20 0.34
RXRB P28702 1/20 0.34
RXRG P48443 1/20 0.34
CETP P11597 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
CACNA1H O95180 1/20 0.32

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
SCHEMBL15397530 0.86 TACR1 (0.38) TACR1DGAT1RXRARXRBRXRG
SCHEMBL1969523 0.82 CACNA1G (0.40) CACNA1BCACNA1CCACNA1GF2TACR1
SCHEMBL18530409 0.79 F2 (0.38) F2DGAT1
SCHEMBL7982682 0.77 F2 (0.40) F2DGAT1
SCHEMBL22573048 0.76 TRPM8 (0.37) F2DGAT1
SCHEMBL1972119 0.76 CACNA1B (0.39) CACNA1BCACNA1CCACNA1GTACR1PSEN1
SCHEMBL29580628 0.75 F2 (0.38) F2DGAT1HDAC1HDAC8HDAC6
SCHEMBL30615551 0.75 F2 (0.38) F2DGAT1HDAC1HDAC8HDAC6
SCHEMBL4964090 0.75 ALDH1A1 (0.39) F2DGAT1
SCHEMBL11982931 0.74 DGAT1 (0.32) F2DGAT1HDAC1HDAC8HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE49686-E1 Nitrogen-containing heterocyclic compound and use of same TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2023-10-10 US disclosed
US-20110178060-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND USE OF SAME TAKEDA PHARMACEUTICAL COMPANY LIMITED 2011-07-21 US disclosed
EP-2336105-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND USE OF SAME Takeda Pharmaceutical Company Limited (JP) 2011-06-22 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-20110178060-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND USE OF SAME NTSR2, BDKRB1, AVPR1B CACNA1B 582/4885CACNA1C 1256/4885CACNA1G 1783/4885

“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.