SCHEMBL4475140

SCHEMBL4475140

O=C(O)N1CCN(CC2CCNCC2)CC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA2D1 P54289 2/20 0.58
CACNA1B Q00975 2/20 0.58
CACNB1 Q02641 2/20 0.58
GBA1 P04062 2/20 0.41
ITGB3 P05106 2/20 0.41
ITGA2B P08514 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.39
GABRA5 P31644 3/20 0.39
GABRB2 P47870 3/20 0.39
SLC6A1 P30531 2/20 0.39
SLC6A12 P48065 2/20 0.39
SLC6A11 P48066 2/20 0.39
SLC6A13 Q9NSD5 2/20 0.39
GABRA1 P14867 2/20 0.39
GABRA4 P48169 2/20 0.39
GABRR1 P24046 1/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HTT P42858 1/20 0.39

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
SCHEMBL25223606 0.90 CACNA2D1 (0.49) CACNA2D1CACNA1BCACNB1GBA1ITGB3
SCHEMBL25223609 0.90 CACNA2D1 (0.49) CACNA2D1CACNA1BCACNB1GBA1ITGB3
SCHEMBL25240030 0.90 CACNA2D1 (0.49) CACNA2D1CACNA1BCACNB1GBA1ITGB3
SCHEMBL3825062 0.87 SMN1; SMN2 (0.44) CACNA2D1CACNA1BCACNB1SMN1; SMN2KDM4E
SCHEMBL1738475 0.86 CACNA2D1 (0.45) CACNA2D1CACNA1BCACNB1ITGB3ITGA2B
SCHEMBL27140377 0.84 CACNA2D1 (0.45) CACNA2D1CACNA1BCACNB1ITGB3ITGA2B
SCHEMBL25628610 0.84 CACNA2D1 (0.53) CACNA2D1CACNA1BCACNB1GBA1SMN1; SMN2
SCHEMBL4321277 0.83 SMN1; SMN2 (0.54) CACNA2D1CACNA1BCACNB1SMN1; SMN2KDM4E
SCHEMBL209863 0.83 SMN1; SMN2 (0.50) CACNA2D1CACNA1BCACNB1SMN1; SMN2KDM4E
SCHEMBL22291286 0.83 ITGB3 (0.46) CACNA2D1CACNA1BCACNB1ITGB3ITGA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230348427-A1 COMPOUND FOR ANDROGEN RECEPTOR DEGRADATION, AND PHARMACEUTICAL USE THEREOF UBIX THERAPEUTICS, INC. (KR) 2023-11-02 US disclosed
WO-2023139199-A1 COMPOUNDS AND THEIR USE IN TREATING CANCER ASTRAZENECA AB (SE) 2023-07-27 WO disclosed
US-20220169643-A1 ESTROGEN RECEPTOR DEGRADING PROTACS ASTRAZENECA UK LIMITED (GB) 2022-06-02 US disclosed
EP-3947376-A1 ESTROGEN RECEPTOR DEGRADING PROTACS Astrazeneca AB (SE) 2022-02-09 EP disclosed
WO-2020201080-A1 ESTROGEN RECEPTOR DEGRADING PROTACS ASTRAZENECA AB (SE) 2020-10-08 WO 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 (3 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 CACNA2D1 1091/4885CACNA1B 946/4885CACNB1 1474/4885
US-20230348427-A1 COMPOUND FOR ANDROGEN RECEPTOR DEGRADATION, AND PHARMACEUTICAL USE THEREOF AR, NR5A1, SHBG CACNA2D1 3809/4885CACNA1B 4683/4885CACNB1 4202/4885
US-20220169643-A1 ESTROGEN RECEPTOR DEGRADING PROTACS ESR1, GPER1, ESRRG CACNA2D1 2773/4885CACNA1B 4768/4885CACNB1 4781/4885

“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.