SCHEMBL16632771

SCHEMBL16632771

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

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 5/20 0.32
CHRNB2 P17787 4/20 0.32
CHRNA3 P32297 4/20 0.32
CHRNA4 P43681 4/20 0.32
CHRNB3 Q05901 4/20 0.32
CHRNA6 Q15825 4/20 0.32
ALDH1A1 P00352 1/20 0.31
TSHR P16473 1/20 0.31
HPGD P15428 1/20 0.31
HSD11B2 P80365 1/20 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
SCHEMBL30779755 0.79 CYP2C19 (0.36) HSD11B1CHRNB2CHRNA3CHRNA4CHRNB3
SCHEMBL4649268 0.78 CA12 (0.42) HSD11B1ALDH1A1TSHRHPGD
SCHEMBL28820007 0.78 CA12 (0.42) HSD11B1ALDH1A1TSHRHPGD
SCHEMBL1769221 0.78 CYP2C19 (0.39) HSD11B1ALDH1A1TSHRHPGD
SCHEMBL16632557 0.78 HSD11B1 (0.34) HSD11B1CHRNB2CHRNA3CHRNA4CHRNB3
SCHEMBL22871592 0.77 CHRNB2 (0.54) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL21173898 0.77 HSD11B1 (0.32) HSD11B1
SCHEMBL21173899 0.77 HSD11B1 (0.32) HSD11B1
SCHEMBL5184241 0.75 MAPT (0.38) ALDH1A1TSHRHPGD
SCHEMBL21828484 0.75

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
EP-3057951-B1 METHYLENE LINKED QUINOLINYL MODULATORS OF ROR-GAMMA-T JANSSEN PHARMACEUTICA NV (BE) 2019-11-20 EP disclosed
US-9284308-B2 Methylene linked quinolinyl modulators of RORγt JANSSEN PHARMACEUTICA NV 2016-03-15 US 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 801/4885CHRNB2 1902/4885CHRNA3 584/4885

“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.