SCHEMBL4461541

SCHEMBL4461541

CCN1CCC(N2CCN(C(=O)O)CC2)CC1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
KMT2A Q03164 1/20 0.45
HSD11B1 P28845 3/20 0.45
CHRM4 P08173 1/20 0.44
TP53 P04637 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
KDM4E B2RXH2 3/20 0.41
ALDH1A1 P00352 2/20 0.41
ALOX15 P16050 1/20 0.41
POLB P06746 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
SCHEMBL1479844 0.93 ACHE (0.52) ACHESMN1; SMN2KMT2AHSD11B1CHRM4
SCHEMBL11919057 0.86 SMN1; SMN2 (0.46) ACHESMN1; SMN2KMT2AHSD11B1CHRM4
SCHEMBL11919197 0.83 HSD11B1 (0.63) ACHESMN1; SMN2KMT2AHSD11B1KDM4E
SCHEMBL11919252 0.83 POLB (0.53) ACHESMN1; SMN2KMT2AHSD11B1CHRM4
SCHEMBL11919192 0.81 ACHE (0.48) ACHESMN1; SMN2KMT2AHSD11B1CHRM4
SCHEMBL2551572 0.81 KDM4E (0.43) ACHESMN1; SMN2KMT2ATDP1KDM4E
SCHEMBL2553841 0.81 HRH3 (0.44) KDM4EALDH1A1ALOX15POLB
SCHEMBL2748651 0.80 KDM4E (0.53) HSD11B1TDP1KDM4EALDH1A1
SCHEMBL11919058 0.80 KMT2A (0.56) ACHESMN1; SMN2KMT2ACHRM4KDM4E
SCHEMBL11919045 0.80 KMT2A (0.56) ACHESMN1; SMN2KMT2AHSD11B1CHRM4

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
CN-101952276-B 5-halo substituted oxindole derivatives and their use for the treatment of vasopressin dependent diseases ABBOTT GMBH & CO.KG (DE) 2014-10-22 CN claimed
CN-101952276-B 5-halo substituted oxindole derivatives and their use for the treatment of vasopressin dependent diseases ABBOTT GMBH & CO.KG (DE) 2014-10-22 CN disclosed
CN-101952276-A 5-halo substituted oxindole derivatives and their use for the treatment of vasopressin dependent diseases ABBOTT GMBH & CO KG 2011-01-19 CN disclosed
US-7538111-B2 Benzenesulphonamide derivatives, method for production and use thereof for treatment of pain LABORATOIRES FOURNIER S.A. (FR) 2009-05-26 US disclosed
US-20060178360-A1 Benzenesulphonamide derivatives, method for production and use thereof for treatment of pain LABORATOIRES FOURNIER S.A. (FR) 2006-08-10 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 (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-20060178360-A1 Benzenesulphonamide derivatives, method for production and use thereof for treatment of pain LTB4R2, BDKRB2, TBXA2R ACHE 188/4885SMN1; SMN2 1897/4885KMT2A 4041/4885

“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.