SCHEMBL3530567

SCHEMBL3530567

NCc1cccnc1N1C[C@@H]2CN(C(=O)O)C[C@@H]21

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.41
HCRTR1 O43613 15/20 0.38
HCRTR2 O43614 15/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
GRM1 Q13255 2/20 0.36
CHRNB2 P17787 1/20 0.35
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 1/20 0.35
CHRNA7 P36544 1/20 0.35
CHRNA4 P43681 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
SCHEMBL3538051 1.00 EPHX2 (0.41) EPHX2HCRTR1HCRTR2MEN1KMT2A
SCHEMBL3287508 0.84 SMN1; SMN2 (0.44) MEN1KMT2A
SCHEMBL3288443 0.84 SMN1; SMN2 (0.44) MEN1KMT2A
SCHEMBL3533543 0.80 GRM1 (0.51) HCRTR1HCRTR2GRM1
SCHEMBL3534880 0.80 GRM1 (0.51) HCRTR1HCRTR2GRM1
SCHEMBL5307391 0.72 P2RX7 (0.53)
SCHEMBL3569215 0.71 CHRNB2 (0.55) HCRTR1HCRTR2CHRNB2CHRNB4CHRNA3
SCHEMBL3573473 0.71 CHRNB2 (0.55) HCRTR1HCRTR2CHRNB2CHRNB4CHRNA3
SCHEMBL3573477 0.71 CHRNB2 (0.55) HCRTR1HCRTR2CHRNB2CHRNB4CHRNA3
SCHEMBL3287512 0.71 ALDH1A1 (0.34) MEN1KMT2A

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-8546374-B2 Amino-tetrazoles analogues and methods of use ABBVIE INC. (US) 2013-10-01 US disclosed
US-20120329772-A1 AMINO-TETRAZOLES ANALOGUES AND METHODS OF USE ABBOTT LABORATORIES (US) 2012-12-27 US disclosed
US-8217067-B2 Antiinflammatory agents, antidepressants, analgesics, purinergic receptor antagonists; neurodegenerative diseases, spinal cord injuries; 1-(2,3-dichlorophenyl)-N-[(2-methylphenyl)methyl]-1H-tetraazol-5-amine ABBOTT LABORATORIES (US) 2012-07-10 US disclosed
US-7704997-B1 Amino-tetrazole analogues and methods of use ABBOTT LABORATORIES (US) 2010-04-27 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-20120329772-A1 AMINO-TETRAZOLES ANALOGUES AND METHODS OF USE P2RX7, P2RX2, P2RX5 EPHX2 1385/4885HCRTR1 302/4885HCRTR2 349/4885
US-20070049584-A1 Amino-tetrazoles analogues and methods of use P2RX7, P2RX2, P2RX5 EPHX2 1385/4885HCRTR1 302/4885HCRTR2 349/4885
US-20060052374-A1 Amino-tetrazole analogues and methods of use P2RX7, P2RX2, P2RX3 EPHX2 1355/4885HCRTR1 290/4885HCRTR2 344/4885

“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.