SCHEMBL3295707

SCHEMBL3295707

N#Cc1cccnc1N1C[C@@]2(Cc3ccccc3)CN(C(=O)O)C[C@@H]12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.42
GRM1 Q13255 2/20 0.41
HDAC2 Q92769 1/20 0.40
RECQL P46063 1/20 0.40
DRD4 P21917 2/20 0.37
TNKS O95271 1/20 0.37
PARP1 P09874 1/20 0.37
PARP6 Q2NL67 1/20 0.37
TNKS2 Q9H2K2 1/20 0.37
PARP2 Q9UGN5 1/20 0.37
PARP3 Q9Y6F1 1/20 0.37
DPP4 P27487 2/20 0.37
DPP8 Q6V1X1 2/20 0.37
DPP7 Q9UHL4 2/20 0.37
ACKR3 P25106 1/20 0.37
DRD2 P14416 1/20 0.36
HTR2A P28223 1/20 0.36
ALDH1A1 P00352 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
HSD11B1 P28845 1/20 0.35

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
SCHEMBL3287887 1.00 KDM4E (0.42) KDM4EGRM1HDAC2RECQLDRD4
SCHEMBL3288446 0.84 ALDH1A1 (0.34) ALDH1A1HSD11B1MEN1KMT2A
SCHEMBL3287512 0.84 ALDH1A1 (0.34) ALDH1A1HSD11B1MEN1KMT2A
SCHEMBL929834 0.79 CHRNB2 (0.41) ALDH1A1
SCHEMBL651155 0.76 ARG1 (0.39) ALDH1A1TDP1MEN1KMT2A
SCHEMBL651858 0.76 ARG1 (0.39) ALDH1A1TDP1MEN1KMT2A
SCHEMBL651156 0.76 ARG1 (0.39) ALDH1A1TDP1MEN1KMT2A
SCHEMBL654607 0.75 CHRNB2 (0.42) ALDH1A1
SCHEMBL649575 0.75 CHRNB2 (0.42) ALDH1A1
SCHEMBL653486 0.72 GRIN2B (0.42) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7723367-B2 Amino-tetrazoles analogues and methods of use ABBOTT LABORATORIES (US) 2010-05-25 US disclosed
US-20080171733-A1 Amino-Tetrazoles Analogues and Methods of Use ABBOTT LABORATORIES (US) 2008-07-17 US disclosed
US-20070049584-A1 Amino-tetrazoles analogues and methods of use ABBVIE INC. 2007-03-01 US disclosed
US-20060052374-A1 Amino-tetrazole analogues and methods of use ABBVIE INC. 2006-03-09 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 (3 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-20080171733-A1 Amino-Tetrazoles Analogues and Methods of Use P2RX7, P2RX2, P2RX5 KDM4E 3458/4885GRM1 205/4885HDAC2 3520/4885
US-20070049584-A1 Amino-tetrazoles analogues and methods of use P2RX7, P2RX2, P2RX5 KDM4E 3458/4885GRM1 205/4885HDAC2 3520/4885
US-20060052374-A1 Amino-tetrazole analogues and methods of use P2RX7, P2RX2, P2RX3 KDM4E 3452/4885GRM1 201/4885HDAC2 3512/4885

“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.