SCHEMBL24433601

SCHEMBL24433601

CN(CCc1cccc(-c2cccc(CN(C)c3nnc(N)[nH]3)c2)c1)c1nnc(N)[nH]1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 5/20 0.41
HTR1A P08908 2/20 0.36
AOC3 Q16853 5/20 0.35
CSF1R P07333 3/20 0.35
FFAR1 O14842 1/20 0.34
ESR1 P03372 1/20 0.33
ESR2 Q92731 1/20 0.33
PARP1 P09874 1/20 0.33
ROCK1 Q13464 1/20 0.33
EGFR P00533 1/20 0.33
BACE1 P56817 1/20 0.33
TAAR1 Q96RJ0 1/20 0.33

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
SCHEMBL24433598 0.87 HTR7 (0.40) HTR7HTR1AAOC3CSF1RFFAR1
SCHEMBL14868787 0.81 AOC3 (0.47) AOC3ESR1ESR2ROCK1TAAR1
SCHEMBL14869007 0.78 PIM1 (0.48) AOC3CSF1REGFR
SCHEMBL14868870 0.75 DRD2 (0.46) HTR1ABACE1TAAR1
SCHEMBL14339693 0.74 PYCR1 (0.45) AOC3TAAR1
SCHEMBL19164539 0.74 DRD2 (0.37) CSF1RTAAR1
SCHEMBL14869158 0.74 DRD2 (0.44) TAAR1
SCHEMBL14869312 0.74 TSHR (0.40) TAAR1
SCHEMBL14868818 0.73 AOC3 (0.50) HTR1AAOC3TAAR1
SCHEMBL14872445 0.72

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11759441-B2 Biguanide compositions and methods of treating metabolic disorders ANJI PHARMACEUTICALS INC. (US) 2023-09-19 US disclosed
US-20220151957-A1 BIGUANIDE COMPOSITIONS AND METHODS OF TREATING METABOLIC DISORDERS ANJI PHARMACEUTICALS INC. 2022-05-19 US 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-11759441-B2 Biguanide compositions and methods of treating metabolic disorders SLC5A2, SLC5A1, GPR119 HTR7 1175/4885HTR1A 2011/4885AOC3 2957/4885
US-20220151957-A1 BIGUANIDE COMPOSITIONS AND METHODS OF TREATING METABOLIC DISORDERS SLC5A2, SLC5A1, GPR119 HTR7 1175/4885HTR1A 2011/4885AOC3 2957/4885

“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.