SCHEMBL20870720

SCHEMBL20870720

C[C@@H](O)CCc1ccccc1N

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TYR P14679 2/20 0.46
SLC6A2 P23975 1/20 0.43
SLC6A4 P31645 1/20 0.43
SLC6A3 Q01959 1/20 0.43
FDPS P14324 1/20 0.41
SIGMAR1 Q99720 2/20 0.37
KDM4E B2RXH2 1/20 0.35
ALOX15 P16050 2/20 0.35
CYP3A4 P08684 1/20 0.35
CASP1 P29466 1/20 0.35
CASP7 P55210 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CCNE1 P24864 1/20 0.34
CDK2 P24941 1/20 0.34
LMNA P02545 1/20 0.34
TSHR P16473 1/20 0.33

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
SCHEMBL2443506 0.85 FDPS (0.40) SLC6A2SLC6A4SLC6A3FDPSSIGMAR1
SCHEMBL104783 0.83 SLC6A2 (0.46) SLC6A2SLC6A4SLC6A3FDPSSIGMAR1
SCHEMBL11202361 0.82 SLC6A2 (0.40) SLC6A2SLC6A4SLC6A3FDPSSIGMAR1
SCHEMBL28133134 0.80 SLC6A2 (0.38) TYRSLC6A2SLC6A4SLC6A3FDPS
SCHEMBL8467467 0.80 SLC6A2 (0.43) SLC6A2SLC6A4SLC6A3FDPSSIGMAR1
SCHEMBL16197829 0.79 FDPS (0.39) SLC6A2SLC6A4SLC6A3FDPSALOX15
SCHEMBL4931748 0.79 FDPS (0.39) SLC6A2SLC6A4SLC6A3FDPSALOX15
SCHEMBL28107515 0.78 FDPS (0.36) SLC6A2SLC6A4SLC6A3FDPSSIGMAR1
SCHEMBL6284683 0.78 SLC6A2 (0.42) SLC6A2SLC6A4SLC6A3FDPSSIGMAR1
Formic Acid SCHEMBL28259321 0.78 SLC6A2 (0.39) SLC6A2SLC6A4SLC6A3FDPSSIGMAR1

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-20200239454-A1 SULFONYL SUBSTITUTED BICYCLIC COMPOUND WHICH ACTS AS ROR INHIBITOR CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2020-07-30 US disclosed
WO-2019063015-A1 SULFONYL-SUBSTITUTED BICYCLIC COMPOUND WHICH ACTS AS RORγ INHIBITOR 正大天晴药业集团股份有限公司 2019-04-04 WO 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-20200239454-A1 SULFONYL SUBSTITUTED BICYCLIC COMPOUND WHICH ACTS AS ROR INHIBITOR RORC, RORA, RORB TYR 2756/4885SLC6A2 4668/4885SLC6A4 4343/4885

“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.