SCHEMBL1735307

SCHEMBL1735307

Cc1cc(C)cc(OC[C@H](C)N)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN4A P35499 3/20 0.47
SCN5A Q14524 3/20 0.47
LMNA P02545 2/20 0.47
SCN1A P35498 2/20 0.47
SCN9A Q15858 2/20 0.47
TSHR P16473 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
NFKB1 P19838 1/20 0.47
KCNK3 O14649 1/20 0.47
CACNA1F O60840 1/20 0.47
KCNK2 O95069 1/20 0.47
GBA1 P04062 1/20 0.47
MAOA P21397 1/20 0.47
HTR2A P28223 1/20 0.47
SLC6A4 P31645 1/20 0.47
HTR2B P41595 1/20 0.47
SCN7A Q01118 1/20 0.47

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
SCHEMBL1734411 1.00 SCN4A (0.47) SCN4ASCN5ALMNASCN1ASCN9A
SCHEMBL1735292 1.00 SCN4A (0.47) SCN4ASCN5ALMNASCN1ASCN9A
Hydrochloric Acid SCHEMBL9122119 0.98 SCN5A (0.48) SCN4ASCN5ALMNASCN1ASCN9A
SCHEMBL9325826 0.88 TACR1 (0.43) SCN4ASCN5ALMNASCN1ASCN9A
SCHEMBL13343217 0.87 SCN4A (0.44) SCN4ASCN5ALMNASCN1ASCN9A
SCHEMBL22379972 0.86 SCN4A (0.48) SCN4ASCN5ALMNASCN1ASCN9A
Trifluoroacetic Acid SCHEMBL29579653 0.83 SCN9A (0.40) SCN9AKMT2A
Trifluoroacetic Acid SCHEMBL28646884 0.83 SCN9A (0.40) SCN9AKMT2A
SCHEMBL18295355 0.80 ADRB2 (0.56) SCN4ASCN5ALMNASCN1ASCN9A
SCHEMBL9124730 0.80 ADRB2 (0.56) SCN4ASCN5ALMNASCN1ASCN9A

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 SCN4A 693/4885SCN5A 109/4885LMNA 1744/4885

“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.