SCHEMBL735365

SCHEMBL735365

CN1CCN(C(=O)/N=N/C(=O)N2CCN(C)CC2)CC1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
HTR1A P08908 1/20 0.45
PHGDH O43175 1/20 0.41
MGLL Q99685 1/20 0.41
HTT P42858 1/20 0.41
HSD11B1 P28845 1/20 0.41
POLB P06746 2/20 0.39
LMNA P02545 1/20 0.39
NPSR1 Q6W5P4 1/20 0.38
MAPT P10636 1/20 0.38
ALDH1A1 P00352 1/20 0.38
DUSP3 P51452 1/20 0.38
PTPN5 P54829 1/20 0.38
PTPN11 Q06124 1/20 0.38
EPHX2 P34913 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
SCHEMBL735366 1.00 CYP1A2 (0.56) CYP1A2TDP1HTR1APHGDHMGLL
SCHEMBL6246335 0.82 CYP1A2 (0.54) CYP1A2TDP1HTR1APHGDHMGLL
SCHEMBL2288243 0.82 CYP1A2 (0.54) CYP1A2TDP1HTR1APHGDHMGLL
SCHEMBL8951223 0.75 ALDH1A1 (0.48) CYP1A2HTTPOLBLMNANPSR1
SCHEMBL2677860 0.75 ALDH1A1 (0.48) CYP1A2HTTPOLBLMNANPSR1
SCHEMBL5470776 0.75 CYP1A2 (0.65) CYP1A2TDP1HTR1APHGDHMGLL
SCHEMBL103468 0.72 ALDH1A1 (0.52) HTTHSD11B1POLBALDH1A1
SCHEMBL12367675 0.72 ALDH1A1 (0.52) HTTHSD11B1POLBALDH1A1
SCHEMBL10791 0.72 ALDH1A1 (0.52) HTTHSD11B1POLBALDH1A1
SCHEMBL33260 0.72 CYP1A2 (1.00) CYP1A2TDP1HTR1APHGDHMGLL

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8138272-B2 Preparation of polymer conjugates of therapeutic, agricultural, and food additive compounds ELAN PHARMACEUTICALS, INC. (US) 2012-03-20 US claimed
JP-2009538338-A 2009-11-05 JP claimed
EP-2019690-A2 PREPARATION OF POLYMER CONJUGATES OF VLA-4 ANTAGONISTS VIA A MITSUNOBU'S REACTION Elan Pharmaceuticals Inc. (US) 2009-02-04 EP claimed
US-20080031848-A1 Preparation of Polymer Conjugates of Therapeutic, Agricultural, and Food Additive Compounds ELAN PHARMACEUTICALS, INC. 2008-02-07 US claimed
WO-2007137260-A2 PREPARATION OF POLYMER CONJUGATES OF VLA-4 ANTAGONISTS VIA A MITSUNOBU' S REACTION ELAN PHARMACEUTICALS, INC. (US) 2007-11-29 WO claimed
US-8138272-B2 Preparation of polymer conjugates of therapeutic, agricultural, and food additive compounds ELAN PHARMACEUTICALS, INC. (US) 2012-03-20 US disclosed
US-20080031848-A1 Preparation of Polymer Conjugates of Therapeutic, Agricultural, and Food Additive Compounds ELAN PHARMACEUTICALS, INC. 2008-02-07 US 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-20080031848-A1 Preparation of Polymer Conjugates of Therapeutic, Agricultural, and Food Additive Compounds PIGO, MANBA, OAT CYP1A2 912/4885TDP1 869/4885HTR1A 3241/4885

“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.