SCHEMBL26700877

SCHEMBL26700877

CC(C)CCOCCCC(=O)N1CCC(CN2CCN(C(C)C)CC2)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 2/20 0.38
▸ SIGMAR1 Q99720 1/20 0.37
▸ ALDH1A1 P00352 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ CACNA2D1 P54289 1/20 0.36
▸ CACNA1B Q00975 1/20 0.36
▸ CACNB1 Q02641 1/20 0.36
▸ CACNA1C Q13936 1/20 0.36
▸ HRH3 Q9Y5N1 2/20 0.36
▸ KCNH2 Q12809 1/20 0.36
▸ PDE3B Q13370 4/20 0.35
▸ PDE3A Q14432 4/20 0.35
▸ GNAI3 P08754 2/20 0.35
▸ GNAO1 P09471 2/20 0.35
▸ GNAI1 P63096 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ KMT2A Q03164 1/20 0.35

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
SCHEMBL26700874 0.92 KDM4E (0.34) NPC1SIGMAR1ALDH1A1KDM4ETDP1
SCHEMBL23730069 0.89 GNAI3 (0.41) NPC1SIGMAR1ALDH1A1KDM4ECACNA2D1
SCHEMBL26700788 0.89 ALDH1A1 (0.39) NPC1SIGMAR1ALDH1A1KDM4ETDP1
SCHEMBL26700931 0.87 DRD2 (0.41) NPC1ALDH1A1KDM4EHRH3KCNH2
SCHEMBL23729789 0.83 ALDH1A1 (0.40) NPC1SIGMAR1ALDH1A1KDM4ETDP1
SCHEMBL23730063 0.82 MEN1 (0.36) NPC1SIGMAR1ALDH1A1KDM4ETDP1
SCHEMBL27057099 0.79 KDM4E (0.54) ALDH1A1KDM4ETDP1CACNA2D1CACNA1B
SCHEMBL26375612 0.78 PIK3CD (0.43) NPC1SIGMAR1ALDH1A1KDM4ETDP1
SCHEMBL23729302 0.77 GNAI3 (0.46) NPC1GNAI3GNAO1GNAI1
SCHEMBL22520624 0.77 CACNA2D1 (0.43) ALDH1A1KDM4ETDP1CACNA2D1CACNA1B

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-20230348452-A1 COMPOUNDS AND USES THEREOF FOGHORN THERAPEUTICS INC. 2023-11-02 — — 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 (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-20230348452-A1 COMPOUNDS AND USES THEREOF VHL, CLN6, BRCA1 NPC1 116/4885SIGMAR1 2541/4885ALDH1A1 2600/4885

“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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