SCHEMBL3760187

SCHEMBL3760187

CC1COc2ccccc2[C@@H]1N

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 3/20 0.40
CYP2D6 P10635 2/20 0.40
SLC6A4 P31645 2/20 0.40
LTB4R Q15722 1/20 0.40
LTB4R2 Q9NPC1 1/20 0.40
TAAR1 Q96RJ0 1/20 0.39
HCRTR2 O43614 1/20 0.38
HTR2A P28223 1/20 0.38
DRD2 P14416 1/20 0.37
DRD3 P35462 1/20 0.37
NISCH Q9Y2I1 1/20 0.37
CYP19A1 P11511 2/20 0.36

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
SCHEMBL3761897 1.00 SLC6A2 (0.40) SLC6A2CYP2D6SLC6A4LTB4RLTB4R2
SCHEMBL3761494 1.00 SLC6A2 (0.40) SLC6A2CYP2D6SLC6A4LTB4RLTB4R2
SCHEMBL29502202 1.00 SLC6A2 (0.40) SLC6A2CYP2D6SLC6A4LTB4RLTB4R2
SCHEMBL3761366 1.00 SLC6A2 (0.40) SLC6A2CYP2D6SLC6A4LTB4RLTB4R2
SCHEMBL3760879 1.00 SLC6A2 (0.40) SLC6A2CYP2D6SLC6A4LTB4RLTB4R2
SCHEMBL25244697 1.00 SLC6A2 (0.40) SLC6A2CYP2D6SLC6A4LTB4RLTB4R2
SCHEMBL3765578 1.00 SLC6A2 (0.40) SLC6A2CYP2D6SLC6A4LTB4RLTB4R2
SCHEMBL12216729 0.82 ABCB1 (0.42) SLC6A2CYP2D6SLC6A4LTB4RLTB4R2
SCHEMBL2739937 0.82 ABCB1 (0.42) SLC6A2CYP2D6SLC6A4LTB4RLTB4R2
SCHEMBL9786879 0.79 SLC6A2 (0.38) SLC6A2CYP2D6SLC6A4LTB4RLTB4R2

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-8759584-B2 Synthesis of biguanidines and triazines, and biguanidino-aluminium complexes as intermediates BAYER CROPSCIENCE AG (DE) 2014-06-24 US disclosed
US-20100305317-A1 SYNTHESIS OF BIGUANIDINES AND TRIAZINES, AND BIGUANIDINO-ALUMINIUM COMPLEXES AS INTERMEDIATES BAYER CROPSCIENCE AG (DE) 2010-12-02 US disclosed
EP-2070934-A1 Synthesis of biguanidines and triazines, and biguanidino-aluminium complexes as intermediates Bayer CropScience AG (DE) 2009-06-17 EP 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-20100305317-A1 SYNTHESIS OF BIGUANIDINES AND TRIAZINES, AND BIGUANIDINO-ALUMINIUM COMPLEXES AS INTERMEDIATES ATIC, SRM, F12 SLC6A2 1543/4885CYP2D6 3643/4885SLC6A4 2759/4885

“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.