SCHEMBL645285

SCHEMBL645285

Cn1nnc(-c2ccc(CN3CCC(O)(C#N)CC3)cc2)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.45
TSHR P16473 4/20 0.45
MEN1 O00255 3/20 0.45
USP2 O75604 2/20 0.45
NPSR1 Q6W5P4 1/20 0.45
ALDH1A1 P00352 2/20 0.43
CCR5 P51681 2/20 0.42
LMNA P02545 2/20 0.41
HTT P42858 1/20 0.41
CHEK1 O14757 1/20 0.39
DRD2 P14416 1/20 0.38
DRD4 P21917 1/20 0.38
DRD3 P35462 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
CHKA P35790 1/20 0.37
GAA P10253 1/20 0.37
OPRM1 P35372 1/20 0.37
NPC1 O15118 1/20 0.37
MAPK1 P28482 1/20 0.37

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
SCHEMBL646390 0.77 KMT2A (0.45) KMT2ATSHRMEN1USP2NPSR1
SCHEMBL2796888 0.76 OPRL1 (0.49) KMT2AMEN1USP2ALDH1A1DRD2
SCHEMBL646076 0.75 CCR5 (0.50) KMT2ATSHRMEN1USP2NPSR1
SCHEMBL62966 0.72 OPRM1 (0.65) KMT2ATSHRMEN1ALDH1A1DRD2
SCHEMBL645530 0.72 ALDH1A1 (0.48) TSHRALDH1A1LMNA
Hydrochloric Acid SCHEMBL1147552 0.71 OPRM1 (0.63) KMT2ATSHRMEN1ALDH1A1DRD2
SCHEMBL7018046 0.69 KMT2A (0.46) KMT2ATSHRLMNANPC1MAPK1
SCHEMBL7471122 0.69 SMN1; SMN2 (0.46) KMT2ATSHRLMNANPC1MAPK1
SCHEMBL3537173 0.69 KDM4E (0.61) KMT2AMEN1ALDH1A1HTTGAA
SCHEMBL17714554 0.68 OPRM1 (0.58) KMT2ATSHRMEN1ALDH1A1DRD2

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 KMT2A 1219/4885TSHR 1037/4885MEN1 822/4885

“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.