SCHEMBL23594167

SCHEMBL23594167

CN1CCC(CN2CCN(c3cnc(C(=O)O)nc3)CC2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CACNA2D1 P54289 1/20 0.47
▸ CACNA1B Q00975 1/20 0.47
▸ CACNB1 Q02641 1/20 0.47
▸ CACNA1C Q13936 1/20 0.47
▸ KDM2B Q8NHM5 1/20 0.42
▸ DRD2 P14416 2/20 0.40
▸ DRD3 P35462 2/20 0.40
▸ SYK P43405 1/20 0.37
▸ HTR1A P08908 1/20 0.37
▸ GSK3B P49841 2/20 0.37
▸ DYRK1A Q13627 2/20 0.37
▸ ACKR3 P25106 1/20 0.37
▸ WNT1 P04628 1/20 0.37
▸ CHEK1 O14757 2/20 0.36
▸ CHRM3 P20309 1/20 0.36
▸ HRH1 P35367 1/20 0.36
▸ CCR3 P51677 1/20 0.36
▸ KCNH2 Q12809 1/20 0.36
▸ HTR7 P34969 1/20 0.36
▸ HTR6 P50406 1/20 0.36

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
SCHEMBL23594170 0.84 CACNA2D1 (0.47) CACNA2D1CACNA1BCACNB1CACNA1CKDM2B
SCHEMBL23960950 0.83 CHEK1 (0.48) CHEK1HDAC3HDAC8
SCHEMBL23594128 0.79 CACNA2D1 (0.45) CACNA2D1CACNA1BCACNB1CACNA1CKDM2B
SCHEMBL23594261 0.78 KDM2B (0.47) CACNA2D1CACNA1BCACNB1CACNA1CKDM2B
SCHEMBL26118389 0.76 PTPN1 (0.40) —
SCHEMBL27363464 0.72 CASP1 (0.42) CACNA2D1CACNA1BCACNB1CACNA1CKDM2B
SCHEMBL27362860 0.72 MAPT (0.50) CACNA2D1CACNA1BCACNB1CACNA1CDRD2
SCHEMBL27363269 0.71 CASP1 (0.41) CACNA2D1CACNA1BCACNB1CACNA1CKDM2B
SCHEMBL23173902 0.71 NCF1 (0.54) CACNA2D1CACNA1BCACNB1CACNA1CKCNH2
SCHEMBL25571706 0.71 NCF1 (0.54) CACNA2D1CACNA1BCACNB1CACNA1CKCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210196710-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF ANDROGEN RECEPTOR ARVINAS OPERATIONS, INC. 2021-07-01 — — 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-20210196710-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF ANDROGEN RECEPTOR AR, KLK3, ACP3 CACNA2D1 4683/4885CACNA1B 4838/4885CACNB1 4627/4885

“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.

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