SCHEMBL1021398

SCHEMBL1021398

NC1CC2CCC(C1)N2c1ccc([N+](=O)[O-])cn1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.52
ALDH1A1 P00352 4/20 0.50
LMNA P02545 1/20 0.50
ALOX12 P18054 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
CYP1A2 P05177 1/20 0.48
CYP2C9 P11712 1/20 0.48
HPGD P15428 1/20 0.48
L3MBTL1 Q9Y468 2/20 0.46
POLB P06746 1/20 0.46
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
ATM Q13315 1/20 0.46
CRBN Q96SW2 3/20 0.43
NPY2R P49146 1/20 0.42
MAPK1 P28482 1/20 0.42
NPBWR1 P48145 1/20 0.41
MCHR1 Q99705 1/20 0.41
ADRA2A P08913 1/20 0.38
ADRA2B P18089 1/20 0.38

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
Hydrochloric Acid SCHEMBL2096985 0.99 MAPT (0.51) MAPTALDH1A1LMNAALOX12NPSR1
Hydrochloric Acid SCHEMBL2096987 0.99 MAPT (0.51) MAPTALDH1A1LMNAALOX12NPSR1
SCHEMBL9923321 0.86 MAPT (0.63) MAPTALDH1A1LMNAALOX12NPSR1
SCHEMBL1116773 0.84 MAPT (0.59) MAPTALDH1A1LMNAALOX12NPSR1
SCHEMBL9918357 0.83 MAPT (0.52) MAPTALDH1A1LMNAALOX12NPSR1
SCHEMBL1022293 0.80 POLB (0.47) MAPTALDH1A1LMNAALOX12NPSR1
SCHEMBL31726480 0.79 ALDH1A1 (0.56) MAPTALDH1A1LMNAALOX12NPSR1
SCHEMBL6949058 0.77 MAPT (0.74) MAPTALDH1A1LMNAALOX12NPSR1
SCHEMBL16969338 0.76 MAPT (0.48) MAPTALDH1A1LMNAALOX12NPSR1
SCHEMBL4761820 0.75 MAPT (0.42) MAPTALDH1A1LMNAALOX12NPSR1

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-20110118305-A1 COMPOUNDS SANOFI-AVENTIS (FR) 2011-05-19 US disclosed
EP-1517907-B1 AZABICYCLO-OCTANE AND NONANE DERIVATIVES WITH DDP-IV INHIBITING ACTIVITY SANOFI AVENTIS (FR) 2011-01-12 EP disclosed
US-7781455-B2 Compounds SANOFI-AVENTIS (FR) 2010-08-24 US disclosed
US-20050153973-A1 (4R)-3-(2-{[8-(2-Pyrimidinyl)-8-azabicyclo[3.2.1]oct-3-yl]exo-amino}acetyl)thiazolidine-4-carbonitrile; enzyme inhibitors; diabetes SANOFI-AVENTIS (FR) 2005-07-14 US disclosed
EP-1517907-A2 AZABICYCLO-OCTANE AND NONANE DERIVATIVES WITH DDP-IV INHIBITING ACTIVITY Sanofi-Aventis (FR) 2005-03-30 EP disclosed
WO-2003106456-A2 NEW COMPOUNDS SANOFI-SYNTHELABO (FR) 2003-12-24 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-20050153973-A1 (4R)-3-(2-{[8-(2-Pyrimidinyl)-8-azabicyclo[3.2.1]oct-3-yl]exo-amino}acetyl)thiazolidine-4-carbonitrile; enzyme inhibitors; diabetes DPP4, DPP8, DPP3 MAPT 3740/4885ALDH1A1 558/4885LMNA 3746/4885
US-20110118305-A1 COMPOUNDS DPP4, DPP3, DPP8 MAPT 2950/4885ALDH1A1 599/4885LMNA 4498/4885

“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.