SCHEMBL14780468

SCHEMBL14780468

C=CCn1c(=O)cc(C2CCCCC2)[nH]c1=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
YTHDF2 Q9Y5A9 1/20 0.45
DAO P14920 2/20 0.37
GAA P10253 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
ADORA2B P29275 1/20 0.36
POLB P06746 1/20 0.36
ALOX15 P16050 1/20 0.36
NR4A1 P22736 1/20 0.36
RECQL P46063 1/20 0.36
HSD17B10 Q99714 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 4/20 0.35
CYP2C19 P33261 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
SMN1; SMN2 Q16637 4/20 0.35
KMT2A Q03164 2/20 0.35
HPGD P15428 2/20 0.35
CYP3A4 P08684 2/20 0.34

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
SCHEMBL9414195 0.72 YTHDF2 (0.83) YTHDF2DAOGAAADORA3ADORA2B
SCHEMBL126983 0.70 KMT2A (0.44) GAAADORA3ADORA2BHSD17B10ALDH1A1
SCHEMBL7964576 0.70 KMT2A (0.53) GAAADORA3ADORA2BRECQLHSD17B10
SCHEMBL5440251 0.70 CYP3A4 (0.42) GAAADORA3ADORA2BRECQLHSD17B10
SCHEMBL9756675 0.70 ALDH1A1 (0.49) GAAADORA3ADORA2BRECQLHSD17B10
SCHEMBL26948701 0.67 ALOX15 (0.40) GAAADORA3ADORA2BPOLBALOX15
SCHEMBL9414250 0.66 GAA (0.39) GAAADORA3ADORA2BHSD17B10ALDH1A1
SCHEMBL157928 0.64 CYP3A4 (0.71) GAAADORA3ADORA2BRECQLNPC1
SCHEMBL3885015 0.64 CYP3A4 (0.54) GAAADORA3ADORA2BRECQLHSD17B10
SCHEMBL27768491 0.64 YTHDF2 (0.58) YTHDF2DAOADORA2BPOLBALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9321736-B2 Pyrimidine cyclohexyl glucocorticoid receptor modulators CORCEPT THERAPEUTICS, INC. (US) 2016-04-26 US disclosed
EP-2685827-B1 PYRIMIDINE CYCLOHEXYL GLUCOCORTICOID RECEPTOR MODULATORS CORCEPT THERAPEUTICS INC (US) 2016-02-03 EP disclosed
US-20150065532-A1 PYRIMIDINE CYCLOHEXYL GLUCOCORTICOID RECEPTOR MODULATORS CORCEPT THERAPEUTICS, INC. 2015-03-05 US disclosed
US-8906917-B2 Pyrimidine cyclohexyl glucocorticoid receptor modulators CORCEPT THERAPEUTICS, INC. (US) 2014-12-09 US disclosed
US-20140162361-A1 PYRIMIDINE CYCLOHEXYL GLUCOCORTICOID RECEPTOR MODULATORS CORCEPT THERAPEUTICS, INC. 2014-06-12 US disclosed
US-20130072486-A1 PYRIMIDINE CYCLOHEXYL GLUCOCORTICOID RECEPTOR MODULATORS CORCEPT THERAPEUTICS, INC. (US) 2013-03-21 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-20140162361-A1 PYRIMIDINE CYCLOHEXYL GLUCOCORTICOID RECEPTOR MODULATORS NR3C1, NR3C2, MC2R YTHDF2 2619/4885DAO 4222/4885GAA 4605/4885
US-20130072486-A1 PYRIMIDINE CYCLOHEXYL GLUCOCORTICOID RECEPTOR MODULATORS NR3C1, NR3C2, MC2R YTHDF2 2619/4885DAO 4222/4885GAA 4605/4885
US-20150065532-A1 PYRIMIDINE CYCLOHEXYL GLUCOCORTICOID RECEPTOR MODULATORS NR3C1, NR3C2, MC2R YTHDF2 2619/4885DAO 4222/4885GAA 4605/4885

“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.