SCHEMBL1735274

SCHEMBL1735274

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

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.41
AADAT Q8N5Z0 2/20 0.38
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
NOS3 P29474 1/20 0.33
NOS1 P29475 1/20 0.33
NOS2 P35228 1/20 0.33
HTR5A P47898 1/20 0.32

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
SCHEMBL2569128 1.00 ACHE (0.41) ACHEAADATTRPM5CHRNB2CHRNA4
SCHEMBL31453975 1.00 ACHE (0.41) ACHEAADATTRPM5CHRNB2CHRNA4
SCHEMBL30686750 1.00 ACHE (0.41) ACHEAADATTRPM5CHRNB2CHRNA4
SCHEMBL29103302 1.00 ACHE (0.41) ACHEAADATTRPM5CHRNB2CHRNA4
SCHEMBL1734307 1.00 ACHE (0.41) ACHEAADATTRPM5CHRNB2CHRNA4
SCHEMBL29478339 1.00 ACHE (0.41) ACHEAADATTRPM5CHRNB2CHRNA4
SCHEMBL30144804 1.00 ACHE (0.41) ACHEAADATTRPM5CHRNB2CHRNA4
SCHEMBL31186259 1.00 ACHE (0.41) ACHEAADATTRPM5CHRNB2CHRNA4
SCHEMBL2923220 1.00 ACHE (0.41) ACHEAADATTRPM5CHRNB2CHRNA4
SCHEMBL27115616 1.00 ACHE (0.41) ACHEAADATTRPM5CHRNB2CHRNA4

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240199542-A1 SUBSTITUTED PYRROLIDIN-2-ONES, SALTS THEREOF AND THEIR USE AS HERBICIDALLY ACTIVE SUBSTANCES BAYER AKTIENGESELLSCHAFT (DE) 2024-06-20 US claimed
US-20240199542-A1 SUBSTITUTED PYRROLIDIN-2-ONES, SALTS THEREOF AND THEIR USE AS HERBICIDALLY ACTIVE SUBSTANCES BAYER AKTIENGESELLSCHAFT (DE) 2024-06-20 US disclosed
WO-2024041961-A2 PROCESS FOR THE PRODUCTION OF (1R,2S)-2,6-DIMETHYL-1-INDANAMINE BAYER AKTIENGESELLSCHAFT (DE) 2024-02-29 WO disclosed
WO-2024041962-A1 PROCESS FOR THE PRODUCTION OF (1R,2S)-2,6-DIMETHYL-1-INDANAMINE USING DYNAMIC KINETIC STEREOISOMER RESOLUTION BAYER AKTIENGESELLSCHAFT (DE) 2024-02-29 WO disclosed
CN-108794339-B Preparation method of (1R, 2S) -2, 6-dimethyl-1-aminoindane 上海朴颐化学科技有限公司 2023-01-20 CN disclosed
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-2231679-A1 SYNTHESIS OF BIGUANIDINES AND TRIAZINES, AND BIGUANIDINO-ALUMINIUM COMPLEXES AS INTERMEDIATES Bayer CropScience AG (DE) 2010-09-29 EP disclosed
WO-2009077059-A1 SYNTHESIS OF BIGUANIDINES AND TRIAZINES, AND BIGUANIDINO-ALUMINIUM COMPLEXES AS INTERMEDIATES BAYER CROPSCIENCE AG (DE) 2009-06-25 WO 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 (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-20240199542-A1 SUBSTITUTED PYRROLIDIN-2-ONES, SALTS THEREOF AND THEIR USE AS HERBICIDALLY ACTIVE SUBSTANCES HPD, DDT, PPOX ACHE 2233/4885AADAT 557/4885TRPM5 4296/4885
US-20100305317-A1 SYNTHESIS OF BIGUANIDINES AND TRIAZINES, AND BIGUANIDINO-ALUMINIUM COMPLEXES AS INTERMEDIATES ATIC, SRM, F12 ACHE 3328/4885AADAT 570/4885TRPM5 1324/4885

“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.