SCHEMBL5404613

SCHEMBL5404613

CCN1CCc2ccc(C(=O)O)cc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.46
ALDH1A1 P00352 1/20 0.45
SLC22A12 Q96S37 1/20 0.43
LMNA P02545 1/20 0.43
PMP22 Q01453 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
GFER P55789 1/20 0.43
MYC P01106 1/20 0.43
GAA P10253 1/20 0.42
POLB P06746 2/20 0.42
CHRM2 P08172 1/20 0.42
CHRM3 P20309 1/20 0.42
HTR2A P28223 3/20 0.41
HTR2C P28335 3/20 0.41
HTR2B P41595 3/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
NFKB1 P19838 1/20 0.41
HIF1A Q16665 1/20 0.41

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
SCHEMBL20178669 0.92 ACHE (0.53) ACHEALDH1A1LMNAGAACHRM2
SCHEMBL20178650 0.88 ACHE (0.54) ACHEALDH1A1LMNAGAAPOLB
SCHEMBL27288985 0.86 ACHE (0.45) ACHEALDH1A1SLC22A12LMNAPMP22
SCHEMBL3349545 0.85 ACHE (0.47) ACHEALDH1A1SLC22A12LMNAPMP22
SCHEMBL13214309 0.84 XIAP (0.50) ACHEALDH1A1NPSR1POLBKDM4E
SCHEMBL28447449 0.82 MEN1 (0.46) ACHEALDH1A1SLC22A12LMNAPMP22
SCHEMBL18593246 0.82 ACHE (0.49) ACHELMNAGAACHRM2MEN1
SCHEMBL20195796 0.81 KMT2A (0.52) ALDH1A1POLBCYP1A2CYP2D6KDM4E
SCHEMBL1916280 0.81 ACHE (0.39) ACHEALDH1A1SLC22A12LMNAPMP22
SCHEMBL6177893 0.81 ACHE (0.63) ACHEALDH1A1SLC22A12KDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240217967-A1 INDOLINE DERIVATIVES AS DDRS INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2024-07-04 US disclosed
US-10597391-B2 Urea-containing isoxazole derivatives as FXR agonists and methods of use thereof ENANTA PHARMACEUTICALS, INC. (US) 2020-03-24 US disclosed
US-20180141941-A1 UREA-CONTAINING ISOXAZOLE DERIVATIVES AS FXR AGONISTS AND METHODS OF USE THEREOF ENANTA PHARMACEUTICALS, INC. 2018-05-24 US disclosed
US-7253198-B2 Hydroxyethylamine derivatives for the treatment of Alzheimer's disease GLAXO GROUP LIMITED (GB) 2007-08-07 US disclosed
US-20060025459-A1 Hydroxyethylamine derivatives for the treatment of alzheimer's disease GLAXO GROUP LIMITED (GB) 2006-02-02 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 (4 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-20060025459-A1 Hydroxyethylamine derivatives for the treatment of alzheimer's disease BACE2, PSEN2, BACE1 ACHE 14/4885ALDH1A1 3102/4885SLC22A12 2903/4885
US-20180141941-A1 UREA-CONTAINING ISOXAZOLE DERIVATIVES AS FXR AGONISTS AND METHODS OF USE THEREOF NR1H4, FXR1, SLC10A1 ACHE 4086/4885ALDH1A1 2185/4885SLC22A12 912/4885
US-10597391-B2 Urea-containing isoxazole derivatives as FXR agonists and methods of use thereof NR1H4, FXR1, SLC10A1 ACHE 4086/4885ALDH1A1 2185/4885SLC22A12 912/4885
US-20240217967-A1 INDOLINE DERIVATIVES AS DDRS INHIBITORS DDR1, DDR2, DDRGK1 ACHE 4156/4885ALDH1A1 3751/4885SLC22A12 4669/4885

“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.