SCHEMBL27012385

SCHEMBL27012385

CC(C)N1CCN(CC(=O)N2CCC(CN3CCN(C(C)C)CC3)CC2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA2D1 P54289 2/20 0.43
CACNA1B Q00975 2/20 0.43
CACNB1 Q02641 2/20 0.43
CACNA1C Q13936 1/20 0.43
HRH3 Q9Y5N1 6/20 0.43
KCNH2 Q12809 3/20 0.43
CYP2D6 P10635 2/20 0.41
PKM P14618 2/20 0.41
KDM4E B2RXH2 3/20 0.40
ALDH1A1 P00352 3/20 0.40
TDP1 Q9NUW8 2/20 0.40
GAA P10253 1/20 0.40
SIGMAR1 Q99720 1/20 0.39
RECQL P46063 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
HSD17B10 Q99714 1/20 0.38
MAPT P10636 2/20 0.37
NPSR1 Q6W5P4 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
SCHEMBL22520624 0.88 CACNA2D1 (0.43) CACNA2D1CACNA1BCACNB1CACNA1CHRH3
SCHEMBL27057099 0.87 KDM4E (0.54) CACNA2D1CACNA1BCACNB1CACNA1CHRH3
SCHEMBL18705111 0.84 HRH3 (0.48) CACNA2D1CACNA1BCACNB1CACNA1CHRH3
SCHEMBL13004984 0.84 GAA (0.55) HRH3KCNH2CYP2D6PKMKDM4E
SCHEMBL25443837 0.83 PKM (0.45) HRH3KCNH2CYP2D6PKMKDM4E
SCHEMBL22520608 0.83 HRH3 (0.44) CACNA2D1CACNA1BCACNB1CACNA1CHRH3
SCHEMBL27259278 0.83 CACNA2D1 (0.52) CACNA2D1CACNA1BCACNB1CACNA1CHRH3
SCHEMBL25075211 0.81 GAA (0.42) HRH3KCNH2CYP2D6PKMKDM4E
SCHEMBL13058951 0.80 GAA (0.57) HRH3PKMKDM4EALDH1A1TDP1
SCHEMBL14453909 0.80 CHRM5 (0.41) CACNA2D1CACNA1BCACNB1CACNA1CHRH3

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-20240018123-A1 COMPOUND FOR INHIBITING OR DISINTEGRATING ANDROGEN RECEPTOR, AND PHARMACEUTICAL USE THEREOF KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2024-01-18 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-20240018123-A1 COMPOUND FOR INHIBITING OR DISINTEGRATING ANDROGEN RECEPTOR, AND PHARMACEUTICAL USE THEREOF AR, NR5A1, SHBG CACNA2D1 3219/4885CACNA1B 3653/4885CACNB1 2875/4885

“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.