SCHEMBL1735309

SCHEMBL1735309

C[C@@H]1Cc2ccccc2[C@@H]1[NH]

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 3/20 0.42
GRIN2D O15399 1/20 0.39
GRIN3B O60391 1/20 0.39
GRIN1 Q05586 1/20 0.39
GRIN2A Q12879 1/20 0.39
GRIN2B Q13224 1/20 0.39
GRIN2C Q14957 1/20 0.39
GRIN3A Q8TCU5 1/20 0.39
PRCP P42785 1/20 0.39
KDM1A O60341 4/20 0.38
CHRNB2 P17787 2/20 0.38
CHRNA4 P43681 2/20 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
SCHEMBL1735354 1.00 OPRM1 (0.42) OPRM1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL1734403 1.00 OPRM1 (0.42) OPRM1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL3766620 1.00 OPRM1 (0.42) OPRM1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL410055 0.77 OPRM1 (0.44) OPRM1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL31124279 0.77 OPRM1 (0.44) OPRM1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL24821526 0.74 OPRM1 (0.44) OPRM1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL599175 0.74 KDM1A (0.47) OPRM1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL599176 0.74 KDM1A (0.47) OPRM1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL12713048 0.74 KDM1A (0.47) OPRM1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL22052004 0.74 OPRM1 (0.42) OPRM1GRIN2DGRIN3BGRIN1GRIN2A

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-8759584-B2 Synthesis of biguanidines and triazines, and biguanidino-aluminium complexes as intermediates BAYER CROPSCIENCE AG (DE) 2014-06-24 US disclosed
EP-2231679-B1 SYNTHESIS OF BIGUANIDINES AND TRIAZINES, AND BIGUANIDINO-ALUMINIUM COMPLEXES AS INTERMEDIATES BAYER CROPSCIENCE AG (DE) 2011-11-16 EP 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 OPRM1 2689/4885GRIN2D 1598/4885GRIN3B 1944/4885

“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.