SCHEMBL2336351

SCHEMBL2336351

CN(C)CCNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.68
HSP90AA1 P07900 1/20 0.68
HPGD P15428 1/20 0.68
SMN1; SMN2 Q16637 2/20 0.65
MAPT P10636 7/20 0.61
MAPK1 P28482 4/20 0.61
MEN1 O00255 3/20 0.61
KMT2A Q03164 3/20 0.61
VCAM1 P19320 1/20 0.55
LMNA P02545 2/20 0.54
GAA P10253 1/20 0.54
PKM P14618 1/20 0.53
CYP1A2 P05177 2/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
HTT P42858 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
GPR55 Q9Y2T6 1/20 0.52

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
SCHEMBL20982472 0.88 SMN1; SMN2 (0.65) ALDH1A1HSP90AA1HPGDSMN1; SMN2MAPT
SCHEMBL7491797 0.85 ALDH1A1 (0.73) ALDH1A1HSP90AA1HPGDSMN1; SMN2MAPT
SCHEMBL2343009 0.84 ALDH1A1 (0.70) ALDH1A1HSP90AA1HPGDSMN1; SMN2MAPT
SCHEMBL10541320 0.84 ALDH1A1 (0.70) ALDH1A1HSP90AA1HPGDSMN1; SMN2MAPT
SCHEMBL13091483 0.83 SMN1; SMN2 (0.66) ALDH1A1SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL16065199 0.83 MAPT (0.59) ALDH1A1HSP90AA1HPGDSMN1; SMN2MAPT
SCHEMBL3406144 0.83 ALDH1A1 (0.70) ALDH1A1HSP90AA1HPGDSMN1; SMN2MAPT
SCHEMBL22382437 0.83 ALDH1A1 (0.70) ALDH1A1HSP90AA1HPGDSMN1; SMN2MAPT
SCHEMBL4497059 0.82 ALDH1A1 (0.68) ALDH1A1HSP90AA1HPGDSMN1; SMN2MAPT
SCHEMBL18768846 0.82 HPGD (0.67) ALDH1A1HPGDSMN1; SMN2MAPK1MEN1

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 10 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
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 ALDH1A1 2884/4885HSP90AA1 1586/4885HPGD 482/4885
US-20030212111-A1 Heterocyclic modulators of nuclear receptors NR1H2, NR1H3, NR1H4 ALDH1A1 2884/4885HSP90AA1 1586/4885HPGD 482/4885

“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.