SCHEMBL21028137

SCHEMBL21028137

CCc1ccc(CN2CCOCC2(C)C)c2ccccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RORC P51449 1/20 0.41
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38
ALDH1A1 P00352 6/20 0.36
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
JAK2 O60674 1/20 0.36
JAK1 P23458 1/20 0.36
KDM4E B2RXH2 3/20 0.36
MAPT P10636 3/20 0.36
TDP1 Q9NUW8 3/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
GRM2 Q14416 1/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36
LMNA P02545 2/20 0.35
GAA P10253 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35

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
SCHEMBL16852479 0.88 CYP2A13 (0.39) RORCCNR1ALDH1A1KMT2AMEN1
SCHEMBL15536592 0.86 RORC (0.39) RORCCNR2ALDH1A1KMT2AMEN1
SCHEMBL18077904 0.86 RORC (0.39) RORCALDH1A1KMT2AMEN1JAK2
SCHEMBL16849155 0.84 RORC (0.39) RORCALDH1A1KMT2AMEN1JAK2
SCHEMBL15560557 0.82 RORC (0.37) RORCALDH1A1KMT2AMEN1JAK2
SCHEMBL21028136 0.82 RORC (0.37) RORCCNR1CNR2ALDH1A1KMT2A
SCHEMBL6132960 0.76 JAK2 (0.44) ALDH1A1JAK2JAK1KDM4EL3MBTL1
SCHEMBL17709857 0.72 CYP2A13 (0.38) RORCALDH1A1JAK2JAK1MAPT
SCHEMBL15331166 0.69 GRM5 (0.41) ALDH1A1JAK2JAK1KDM4ETDP1
SCHEMBL16852703 0.69 CYP3A4 (0.36) RORCALDH1A1KMT2AMEN1JAK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10301272-B2 Carboxamide or sulfonamide substituted thiazoles and related derivatives as modulators for the orphan nuclear receptor ROR[γ] PHENEX PHARMACEUTICALS AG (DE) 2019-05-28 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-10301272-B2 Carboxamide or sulfonamide substituted thiazoles and related derivatives as modulators for the orphan nuclear receptor ROR[γ] RORA, RORB, RORC RORC 3/4885CNR1 68/4885CNR2 74/4885

“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.