SCHEMBL16852479

SCHEMBL16852479

Cc1ccc(CN2CCOCC2(C)C)c2ccccc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A13 Q16696 1/20 0.39
RORC P51449 1/20 0.39
DAO P14920 1/20 0.39
PRKDC P78527 4/20 0.38
ALDH1A1 P00352 3/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
KDM4E B2RXH2 2/20 0.35
CYP1A2 P05177 1/20 0.35
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
TNKS O95271 1/20 0.34
CNR1 P21554 1/20 0.34
JAK2 O60674 1/20 0.34
JAK1 P23458 1/20 0.34
GRM2 Q14416 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
PDE1B Q01064 1/20 0.32

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
SCHEMBL21028137 0.88 RORC (0.41) CYP2A13RORCALDH1A1KMT2AMEN1
SCHEMBL15536592 0.85 RORC (0.39) CYP2A13RORCALDH1A1KMT2AMEN1
SCHEMBL18077904 0.85 RORC (0.39) CYP2A13RORCALDH1A1KMT2AMEN1
SCHEMBL16849155 0.83 RORC (0.39) CYP2A13RORCALDH1A1KMT2AMEN1
SCHEMBL15560557 0.81 RORC (0.37) CYP2A13RORCALDH1A1KMT2AMEN1
SCHEMBL21028136 0.81 RORC (0.37) CYP2A13RORCALDH1A1KMT2AMEN1
SCHEMBL20465104 0.77 CYP2A13 (0.66) CYP2A13ALDH1A1KMT2AMEN1KDM4E
SCHEMBL6132960 0.75 JAK2 (0.44) ALDH1A1KDM4ELMNAGAAJAK2
SCHEMBL17709857 0.71 CYP2A13 (0.38) CYP2A13RORCALDH1A1LMNAMAPT
SCHEMBL16852703 0.71 CYP3A4 (0.36) RORCALDH1A1KMT2AMEN1KDM4E

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
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
US-9458104-B2 Carboxamide or sulfonamide substituted nitrogen-containing 5-membered heterocycles as modulators for the orphan nuclear receptor RORγ PHENEX PHARMACEUTICALS AG (DE) 2016-10-04 US disclosed
US-20150344423-A1 CARBOXAMIDE OR SULFONAMIDE SUBSTITUTED NITROGEN-CONTAINING 5-MEMBERED HETEROCYCLES AS MODULATORS FOR THE ORPHAN NUCLEAR RECEPTOR ROR GAMMA PHENEX PHARMACEUTICALS AG (DE) 2015-12-03 US disclosed
US-20150175562-A1 CARBOXAMIDE OR SULFONAMIDE SUBSTITUTED THIAZOLES AND RELATED DERIVATIVES AS MODULATORS FOR THE ORPHAN NUCLEAR RECEPTOR ROR[GAMMA] PHENEX PHARMACEUTICALS AG (DE) 2015-06-25 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 (3 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-20150175562-A1 CARBOXAMIDE OR SULFONAMIDE SUBSTITUTED THIAZOLES AND RELATED DERIVATIVES AS MODULATORS FOR THE ORPHAN NUCLEAR RECEPTOR ROR[GAMMA] RORA, RORB, RORC CYP2A13 180/4885RORC 3/4885DAO 3196/4885
US-20150344423-A1 CARBOXAMIDE OR SULFONAMIDE SUBSTITUTED NITROGEN-CONTAINING 5-MEMBERED HETEROCYCLES AS MODULATORS FOR THE ORPHAN NUCLEAR RECEPTOR ROR GAMMA RORA, RORB, RORC CYP2A13 246/4885RORC 3/4885DAO 2760/4885
US-10301272-B2 Carboxamide or sulfonamide substituted thiazoles and related derivatives as modulators for the orphan nuclear receptor ROR[γ] RORA, RORB, RORC CYP2A13 178/4885RORC 3/4885DAO 3190/4885

“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.