SCHEMBL3040414

SCHEMBL3040414

CC(C)(C)OC(=O)n1c(-c2ccc(OS(=O)(=O)c3ccc(C(C)(C)C)cc3)c3c2C(=O)NC3)cc2cc(CN3CCCCC3)ccc21

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 15/20 0.34
CRHBP P24387 1/20 0.34
CRHR2 Q13324 1/20 0.34
BDKRB1 P46663 1/20 0.33
ENPP3 O14638 1/20 0.31
ENPP1 P22413 1/20 0.31
CYP2C9 P11712 1/20 0.31
NR1H3 Q13133 2/20 0.31
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL3040914 0.95 NR1H2 (0.38) NR1H2BDKRB1NR1H3ALDH1A1
SCHEMBL3042182 0.94 NR1H2 (0.40) NR1H2NR1H3
SCHEMBL3034029 0.94 NR1H2 (0.36) NR1H2BDKRB1
SCHEMBL3046531 0.93 SMN1; SMN2 (0.35) NR1H2NR1H3
SCHEMBL3044012 0.93 NR1H2 (0.37) NR1H2BDKRB1
SCHEMBL3039560 0.93 NR1H2 (0.40) NR1H2NR1H3
SCHEMBL3054403 0.93 NR1H2 (0.36) NR1H2BDKRB1
SCHEMBL3044144 0.91 NR1H2 (0.33) NR1H2BDKRB1NR1H3
SCHEMBL3045896 0.91 MEN1 (0.34) NR1H2ALDH1A1
SCHEMBL3048077 0.91 NR1H2 (0.34) NR1H2NR1H3

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-7745641-B2 Nitrogen-containing heterocyclic compound KYOWA HAKKO KIRIN CO., LTD. (JP) 2010-06-29 US disclosed
US-20090054407-A1 Nitrogen-containing heterocyclic compound KYOWA HAKKO KOGYO CO., LTD. (JP) 2009-02-26 US disclosed
EP-1880993-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND KYOWA HAKKO KOGYO CO., LTD. (JP) 2008-01-23 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-20090054407-A1 Nitrogen-containing heterocyclic compound NR4A1, NR5A2, PRMT8 NR1H2 21/4885CRHBP 988/4885CRHR2 232/4885

“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.