SCHEMBL2331773

SCHEMBL2331773

CCNc1ccc(NC(=O)COC)cc1N

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 7/20 0.51
ALDH1A1 P00352 3/20 0.51
MAPT P10636 3/20 0.51
KDM4E B2RXH2 2/20 0.51
HTT P42858 2/20 0.51
GAA P10253 1/20 0.51
THRB P10828 1/20 0.51
GFER P55789 1/20 0.51
PLEC Q15149 1/20 0.51
KDM4C Q9H3R0 1/20 0.50
KMT2A Q03164 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
RAB9A P51151 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
CYP2C19 P33261 1/20 0.48
ALOX12 P18054 1/20 0.48
MAPK1 P28482 1/20 0.48
MTNR1A P48039 1/20 0.44
MTNR1B P49286 1/20 0.44
KCNQ3 O43525 1/20 0.44

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
SCHEMBL11877095 0.82 HPGD (0.59) HPGDALDH1A1MAPTKDM4EHTT
SCHEMBL3070660 0.81 HTT (0.58) HPGDALDH1A1MAPTKDM4EHTT
SCHEMBL2339729 0.81 MAPT (0.51) HPGDALDH1A1MAPTKDM4EHTT
SCHEMBL2335212 0.79 HCAR3 (0.55) HPGDALDH1A1MAPTHTTKMT2A
SCHEMBL19501882 0.77 KDM4E (0.53) HPGDALDH1A1MAPTKDM4EHTT
SCHEMBL10658933 0.77 ALDH1A1 (0.73) HPGDALDH1A1MAPTKDM4EHTT
SCHEMBL10658526 0.75 SMN1; SMN2 (0.57) HPGDALDH1A1MAPTKDM4EHTT
SCHEMBL10802549 0.75 HPGD (0.51) HPGDALDH1A1MAPTKDM4EHTT
SCHEMBL11543987 0.75 MAPT (0.56) HPGDALDH1A1MAPTKDM4EHTT
SCHEMBL14962804 0.75 HPGD (0.81) HPGDALDH1A1MAPTKDM4EHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1465882-B1 HETROCYCLIC MODULATORS OF NUCLEAR RECEPTORS X CEPTOR THERAPEUTICS INC (US) 2011-08-24 EP disclosed
US-7115640-B2 Heterocyclic modulators of nuclear receptors X-CEPTOR THERAPEUTICS, INC. (US) 2006-10-03 US disclosed
EP-1465882-A4 HETROCYCLIC MODULATORS OF NUCLEAR RECEPTORS X CEPTOR THERAPEUTICS INC (US) 2005-04-06 EP disclosed
EP-1465882-A2 HETROCYCLIC MODULATORS OF NUCLEAR RECEPTORS X-Ceptor Therapeutics, Inc. (US) 2004-10-13 EP disclosed
US-20040180942-A1 Heterocyclic modulators of nuclear receptors X-CEPTOR THERAPEUTICS, INC. 2004-09-16 US disclosed
US-6696473-B2 THIAZOLIDINONE DERIVATIVES; MODULATING CHOLESTEROL METABOLISM X-CEPTOR THERAPEUTICS, INC. 2004-02-24 US disclosed
WO-2003060078-A9 HETEROCYCLIC MODULATORS OF NUCLEAR RECEPTORS X CEPTOR THERAPEUTICS INC (US) 2004-02-19 WO disclosed
US-20030212111-A1 Heterocyclic modulators of nuclear receptors AKARNA THERAPEUTICS, LTD. (GB) 2003-11-13 US disclosed
WO-2003060078-A2 HETEROCYCLIC MODULATORS OF NUCLEAR RECEPTORS X-CEPTOR THERAPEUTICS, INC. (US) 2003-07-24 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 (2 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-20040180942-A1 Heterocyclic modulators of nuclear receptors NR1H2, NR1H3, NR1H4 HPGD 482/4885ALDH1A1 2884/4885MAPT 4111/4885
US-20030212111-A1 Heterocyclic modulators of nuclear receptors NR1H2, NR1H3, NR1H4 HPGD 482/4885ALDH1A1 2884/4885MAPT 4111/4885

“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.