SCHEMBL24433598

SCHEMBL24433598

CN(C)c1nnc(N(C)CCc2cccc(-c3cccc(CN(C)c4nnc(N(C)C)[nH]4)c3)c2)[nH]1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 5/20 0.40
HTR1A P08908 2/20 0.37
ESR1 P03372 1/20 0.34
ESR2 Q92731 1/20 0.34
TAAR1 Q96RJ0 3/20 0.34
AOC3 Q16853 3/20 0.34
CSF1R P07333 2/20 0.34
FABP4 P15090 1/20 0.33
FFAR1 O14842 1/20 0.33
PIM1 P11309 1/20 0.33
NMT1 P30419 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
SCHEMBL24433601 0.87 HTR7 (0.41) HTR7HTR1AESR1ESR2TAAR1
SCHEMBL14869017 0.80 TAAR1 (0.48) ESR1ESR2TAAR1AOC3
SCHEMBL14869015 0.77 PIM1 (0.50) AOC3CSF1RFABP4PIM1
SCHEMBL14868937 0.74 HIF1A (0.48) HTR1ATAAR1
SCHEMBL14869163 0.72 TAAR1 (0.39) TAAR1
SCHEMBL14869242 0.72 DRD2 (0.46) TAAR1
SCHEMBL14869020 0.72 AOC3 (0.49) HTR1ATAAR1AOC3
SCHEMBL14868859 0.71 TRPA1 (0.41) ESR1
SCHEMBL14872501 0.71 CAPN1 (0.35)
SCHEMBL14868900 0.70 TAAR1 (0.46) HTR7HTR1ATAAR1

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 2011/4885ESR1 3370/4885
US-20220151957-A1 BIGUANIDE COMPOSITIONS AND METHODS OF TREATING METABOLIC DISORDERS SLC5A2, SLC5A1, GPR119 HTR7 1175/4885HTR1A 2011/4885ESR1 3370/4885

“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.