SCHEMBL16632557

SCHEMBL16632557

O=C(C1CN(C(=O)O)C1)C1CN(C(=O)O)C1

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 4/20 0.34
ALDH1A1 P00352 1/20 0.33
TSHR P16473 1/20 0.33
HPGD P15428 1/20 0.33
HSD11B2 P80365 1/20 0.32
CHRNB2 P17787 2/20 0.30
CHRNA3 P32297 2/20 0.30
CHRNA4 P43681 2/20 0.30
CHRNB3 Q05901 2/20 0.30
CHRNA6 Q15825 2/20 0.30

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
SCHEMBL1769221 0.82 CYP2C19 (0.39) HSD11B1ALDH1A1TSHRHPGD
SCHEMBL18138888 0.78 HSD11B1 (0.32) HSD11B1ALDH1A1TSHRHPGDHSD11B2
SCHEMBL2569178 0.78 KDM4E (0.38) ALDH1A1TSHR
SCHEMBL1740412 0.78 CHRNB2 (0.34) HSD11B1ALDH1A1TSHRHPGDHSD11B2
SCHEMBL30779755 0.78 CYP2C19 (0.36) HSD11B1TSHRCHRNB2CHRNA3CHRNA4
SCHEMBL16632771 0.78 HSD11B1 (0.32) HSD11B1ALDH1A1TSHRHPGDHSD11B2
SCHEMBL2939887 0.77 CHRNB2 (0.35) HSD11B1ALDH1A1CHRNB2CHRNA3CHRNA4
SCHEMBL18498063 0.75 CHRNB2 (0.39) HSD11B1HSD11B2CHRNB2CHRNA3CHRNA4
SCHEMBL18498060 0.75 CHRNB2 (0.39) HSD11B1HSD11B2CHRNB2CHRNA3CHRNA4
SCHEMBL2573409 0.74 ALDH1A1 (0.35) HSD11B1ALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3057951-A1 METHYLENE LINKED QUINOLINYL MODULATORS OF ROR-GAMMA-T Janssen Pharmaceutica N.V. (BE) 2016-08-24 EP disclosed
US-9284308-B2 Methylene linked quinolinyl modulators of RORγt JANSSEN PHARMACEUTICA NV 2016-03-15 US disclosed
WO-2015057205-A1 METHYLENE LINKED QUINOLINYL MODULATORS OF ROR-GAMMA-T JANSSEN PHARMACEUTICA NV (BE) 2015-04-23 WO disclosed
US-20150105366-A1 METHYLENE LINKED QUINOLINYL MODULATORS OF RORyt JANSSEN PHARMACEUTICA NV (BE) 2015-04-16 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-20150105366-A1 METHYLENE LINKED QUINOLINYL MODULATORS OF RORyt RORC, RORA, RORB HSD11B1 801/4885ALDH1A1 1026/4885TSHR 488/4885

“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.