SCHEMBL23824184

SCHEMBL23824184

CC(C)CCCCNC(=O)CC1NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)C(CCCCN)NC(=O)[C@@H](Cc2ccc(O)cc2)NC1=O

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CACNA1B Q00975 1/20 0.51
▸ GNAI1 P63096 1/20 0.48
▸ KDM4A O75164 1/20 0.48
▸ ITGB3 P05106 7/20 0.46
▸ ITGB1 P05556 2/20 0.46
▸ ITGAV P06756 2/20 0.46
▸ ITGA5 P08648 2/20 0.46
▸ ITGB5 P18084 1/20 0.46
▸ CXCR4 P61073 1/20 0.45
▸ CTSG P08311 2/20 0.44
▸ ITGA2B P08514 5/20 0.44
▸ CD40 P25942 1/20 0.43
▸ KRAS P01116 1/20 0.43
▸ NNMT P40261 1/20 0.43
▸ CD2 P06729 1/20 0.43
▸ CD58 P19256 1/20 0.43
▸ PLAU P00749 1/20 0.42
▸ BCL2L1 Q07817 1/20 0.42
▸ BAD Q92934 1/20 0.42

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
SCHEMBL23824132 1.00 CACNA1B (0.51) CACNA1BGNAI1KDM4AITGB3ITGB1
SCHEMBL23823920 0.87 CACNA1B (0.53) CACNA1BKDM4AITGB3ITGB1ITGAV
SCHEMBL7746029 0.87 ITGB3 (0.56) CACNA1BGNAI1KDM4AITGB3ITGB1
SCHEMBL15308347 0.87 ITGB3 (0.56) CACNA1BGNAI1KDM4AITGB3ITGB1
SCHEMBL19018807 0.87 ITGB3 (0.56) CACNA1BGNAI1KDM4AITGB3ITGB1
SCHEMBL23839922 0.87 ITGB3 (0.56) CACNA1BGNAI1KDM4AITGB3ITGB1
SCHEMBL24454392 0.87 ITGB3 (0.56) CACNA1BGNAI1KDM4AITGB3ITGB1
SCHEMBL19018674 0.84 ITGB3 (0.52) CACNA1BITGB3ITGB1ITGAVITGA5
SCHEMBL22970200 0.84 ITGB3 (0.56) ITGB3ITGB1ITGAVITGA5ITGB5
SCHEMBL21577745 0.84 ITGB3 (0.56) ITGB3ITGB1ITGAVITGA5ITGB5

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-20210283278-A1 CHIRAL CYCLEN COMPOUNDS AND THEIR USES THE HONG KONG POLYTECHNIC UNIVERSITY (CN) 2021-09-16 — — 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-20210283278-A1 CHIRAL CYCLEN COMPOUNDS AND THEIR USES DCTN3, DCTN1, CDK3 CACNA1B 191/4885GNAI1 1369/4885KDM4A 1052/4885

“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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