SCHEMBL3288443

SCHEMBL3288443

NCc1cccnc1N1C[C@H]2CN(C(=O)OCc3ccccc3)C[C@H]21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
GRIN2B Q13224 8/20 0.44
CYP2C19 P33261 1/20 0.42
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
F13A1 P00488 1/20 0.39
TGM2 P21980 1/20 0.39
TGM1 P22735 1/20 0.39
CYP2D6 P10635 4/20 0.39
CYP2C9 P11712 4/20 0.39
CYP3A4 P08684 3/20 0.39
GRM5 P41594 1/20 0.39
CXCR4 P61073 1/20 0.39
OPRD1 P41143 1/20 0.39
OPRK1 P41145 1/20 0.39
JAK2 O60674 1/20 0.38
JAK1 P23458 1/20 0.38

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
SCHEMBL3287508 1.00 SMN1; SMN2 (0.44) SMN1; SMN2NPC1RAB9AGRIN2BCYP2C19
SCHEMBL3287881 0.85 KDM4E (0.45) SMN1; SMN2NPC1RAB9AGRIN2BCYP2C19
SCHEMBL3295704 0.85 KDM4E (0.45) SMN1; SMN2NPC1RAB9AGRIN2BCYP2C19
SCHEMBL3538051 0.84 EPHX2 (0.41) MEN1KMT2A
SCHEMBL3530567 0.84 EPHX2 (0.41) MEN1KMT2A
SCHEMBL651154 0.78 GRIN2B (0.50) SMN1; SMN2NPC1RAB9AGRIN2BCYP2C19
SCHEMBL651870 0.78 GRIN2B (0.50) SMN1; SMN2NPC1RAB9AGRIN2BCYP2C19
SCHEMBL653485 0.74 CHRNB2 (0.45) SMN1; SMN2NPC1RAB9AGRIN2BCYP2C19
SCHEMBL649306 0.74 CHRNB2 (0.45) SMN1; SMN2NPC1RAB9AGRIN2BCYP2C19
SCHEMBL1795473 0.73 SMN1; SMN2 (0.52) SMN1; SMN2NPC1RAB9AGRIN2BCYP2C19

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 3 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-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 (2 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 SMN1; SMN2 3761/4885NPC1 2175/4885RAB9A 2726/4885
US-20060052374-A1 Amino-tetrazole analogues and methods of use P2RX7, P2RX2, P2RX3 SMN1; SMN2 3742/4885NPC1 2296/4885RAB9A 2680/4885

“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.