SCHEMBL2339729

SCHEMBL2339729

CCNc1ccc(NC(=O)CN(C)C)cc1N

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.51
ALDH1A1 P00352 3/20 0.51
KDM4E B2RXH2 1/20 0.51
GAA P10253 1/20 0.51
THRB P10828 1/20 0.51
HPGD P15428 1/20 0.51
HTT P42858 1/20 0.51
GFER P55789 1/20 0.51
PLEC Q15149 1/20 0.51
NPY5R Q15761 4/20 0.46
TNKS O95271 1/20 0.43
PARP1 P09874 1/20 0.43
PARP15 Q460N3 1/20 0.43
PARP14 Q460N5 1/20 0.43
PARP10 Q53GL7 1/20 0.43
PARP12 Q9H0J9 1/20 0.43
TNKS2 Q9H2K2 1/20 0.43
PARP2 Q9UGN5 1/20 0.43
PARP4 Q9UKK3 1/20 0.43
PARP3 Q9Y6F1 1/20 0.43

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
SCHEMBL3070660 0.81 HTT (0.58) MAPTALDH1A1KDM4EGAATHRB
SCHEMBL2331773 0.81 HPGD (0.51) MAPTALDH1A1KDM4EGAATHRB
SCHEMBL3800184 0.80 MAPT (0.54) MAPTALDH1A1GAANPY5RTNKS
SCHEMBL2337277 0.79 HCAR3 (0.55) MAPTALDH1A1HTTL3MBTL1MEN1
SCHEMBL3794856 0.78 MAPT (0.52) MAPTALDH1A1KDM4EHPGDHTT
SCHEMBL3796789 0.78 NPC1 (0.63) MAPTALDH1A1KDM4ENPY5RTNKS
SCHEMBL3719725 0.76 SMN1; SMN2 (0.52) MAPTALDH1A1KDM4EHTTL3MBTL1
Hydrochloric Acid SCHEMBL2203867 0.75 SMN1; SMN2 (0.51) MAPTALDH1A1KDM4EHTTL3MBTL1
SCHEMBL11543987 0.75 MAPT (0.56) MAPTALDH1A1KDM4EGAATHRB
Hydrochloric Acid SCHEMBL2203864 0.74 ALDH1A1 (0.50) MAPTALDH1A1KDM4EHTTL3MBTL1

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 MAPT 4111/4885ALDH1A1 2884/4885KDM4E 3294/4885
US-20030212111-A1 Heterocyclic modulators of nuclear receptors NR1H2, NR1H3, NR1H4 MAPT 4111/4885ALDH1A1 2884/4885KDM4E 3294/4885

“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.