SCHEMBL646076

SCHEMBL646076

Cn1nnc(-c2ccc(CN3CCC(=O)CC3)cc2)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 1/20 0.50
ALDH1A1 P00352 2/20 0.48
CHEK1 O14757 1/20 0.48
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
NPSR1 Q6W5P4 2/20 0.47
USP2 O75604 1/20 0.47
TSHR P16473 1/20 0.47
AKT1 P31749 2/20 0.44
AKT2 P31751 2/20 0.44
HRH3 Q9Y5N1 1/20 0.42
DRD2 P14416 1/20 0.42
DRD4 P21917 1/20 0.42
DRD3 P35462 1/20 0.42
CHKA P35790 1/20 0.42
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.41
AGTR1 P30556 1/20 0.41
AGTR2 P50052 1/20 0.41
GAA P10253 1/20 0.41

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
SCHEMBL645285 0.75 KMT2A (0.45) CCR5ALDH1A1CHEK1KMT2AMEN1
SCHEMBL7018046 0.75 KMT2A (0.46) KMT2ATSHRLMNA
SCHEMBL3537173 0.74 KDM4E (0.61) ALDH1A1KMT2AMEN1HRH3HTT
SCHEMBL646390 0.74 KMT2A (0.45) CCR5ALDH1A1KMT2AMEN1NPSR1
SCHEMBL13846211 0.73 KMT2A (0.60) ALDH1A1KMT2ANPSR1USP2TSHR
SCHEMBL7471122 0.71 SMN1; SMN2 (0.46) KMT2ATSHRLMNA
SCHEMBL16298846 0.71 HDAC6 (0.49) KMT2ATSHRHRH3LMNA
SCHEMBL646758 0.71 RAB9A (0.46) ALDH1A1KMT2ATSHRLMNA
SCHEMBL4703106 0.71 ALDH1A1 (0.61) ALDH1A1KMT2AMEN1HRH3LMNA
SCHEMBL8108397 0.71 ALDH1A1 (0.61) ALDH1A1KMT2AMEN1HRH3LMNA

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
US-8119563-B2 N-substituted azacycles FMC CORPORATION (US) 2012-02-21 US disclosed
US-8119563-B2 N-substituted azacycles FMC CORPORATION (US) 2012-02-21 US disclosed
US-8119563-B2 N-substituted azacycles FMC CORPORATION (US) 2012-02-21 US disclosed
US-20090215821-A1 N-Substituted Azacycles FMC CORPORATION 2009-08-27 US disclosed
US-20090215821-A1 N-Substituted Azacycles FMC CORPORATION 2009-08-27 US disclosed
US-20090215821-A1 N-Substituted Azacycles FMC CORPORATION 2009-08-27 US disclosed
EP-1673083-A4 N-SUBSTITUTED AZACYCLES BAYER CROPSCIENCE AG (DE) 2008-12-17 EP disclosed
EP-1673083-A2 N-SUBSTITUTED AZACYCLES FMC CORPORATION (US) 2006-06-28 EP disclosed
WO-2005036961-A2 N-SUBSTITUTED AZACYCLES FMC CORPORATION (US) 2005-04-28 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 (1 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-20090215821-A1 N-Substituted Azacycles DDT, UQCRB, DNMT1 CCR5 1331/4885ALDH1A1 2697/4885CHEK1 3768/4885

“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.