SCHEMBL1735261

SCHEMBL1735261

Cc1ccc2c(c1)[C@H]([NH])[C@H](C)C2

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.41
TRPM5 Q9NZQ8 1/20 0.38
CHRNB2 P17787 1/20 0.34
CHRNA4 P43681 1/20 0.34
HTR2C P28335 3/20 0.34
HTR2A P28223 1/20 0.34
HTR2B P41595 1/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
SLC6A3 Q01959 1/20 0.34
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
ALDH1A1 P00352 1/20 0.32
CYP3A4 P08684 1/20 0.32
AADAT Q8N5Z0 1/20 0.32
SRD5A1 P18405 2/20 0.31
DRD2 P14416 1/20 0.31
DRD1 P21728 1/20 0.31

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
SCHEMBL1735412 1.00 ACHE (0.41) ACHETRPM5CHRNB2CHRNA4HTR2C
SCHEMBL1736717 1.00 ACHE (0.41) ACHETRPM5CHRNB2CHRNA4HTR2C
SCHEMBL20921756 0.80 ACHE (0.43) ACHETRPM5CHRNB2CHRNA4HTR2C
SCHEMBL30441796 0.80 ACHE (0.43) ACHETRPM5CHRNB2CHRNA4HTR2C
SCHEMBL20921808 0.80 ACHE (0.43) ACHETRPM5CHRNB2CHRNA4HTR2C
SCHEMBL1734307 0.77 ACHE (0.41) ACHETRPM5CHRNB2CHRNA4HTR2C
SCHEMBL1735274 0.77 ACHE (0.41) ACHETRPM5CHRNB2CHRNA4HTR2C
SCHEMBL2923220 0.77 ACHE (0.41) ACHETRPM5CHRNB2CHRNA4HTR2C
SCHEMBL31186259 0.77 ACHE (0.41) ACHETRPM5CHRNB2CHRNA4HTR2C
SCHEMBL31453975 0.77 ACHE (0.41) ACHETRPM5CHRNB2CHRNA4HTR2C

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 ACHE 3328/4885TRPM5 1324/4885CHRNB2 4572/4885

“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.