SCHEMBL22320681

SCHEMBL22320681

CC1(NC(=O)O)CCN(c2nccc(CO)n2)CC1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 4/20 0.38
▸ KDM4E B2RXH2 4/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ HPGD P15428 2/20 0.37
▸ HSD17B10 Q99714 2/20 0.37
▸ SORD Q00796 3/20 0.37
▸ PTPN11 Q06124 2/20 0.37
▸ SLC6A7 Q99884 1/20 0.37
▸ CYP3A4 P08684 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ POLB P06746 1/20 0.35
▸ AOC3 Q16853 1/20 0.35
▸ ACACB O00763 1/20 0.35
▸ PANK3 Q9H999 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
SCHEMBL28562329 0.84 RET (0.42) ACHECYP3A4
SCHEMBL20745663 0.82 SORD (0.41) SORDPTPN11MEN1KMT2AAOC3
SCHEMBL22320365 0.80 EGFR (0.42) ALDH1A1HSD17B10SORDPTPN11CYP3A4
SCHEMBL22389879 0.80 PANK3 (0.50) ACHEKDM4EALDH1A1HPGDHSD17B10
SCHEMBL20745046 0.77 AOC3 (0.37) KDM4EHSD17B10SORDPTPN11CYP3A4
SCHEMBL20746494 0.76 TRPV3 (0.42) SORDAOC3ACACBPANK3
SCHEMBL7386664 0.75 PANK3 (0.48) ACHEKDM4EALDH1A1HPGDHSD17B10
SCHEMBL20746025 0.74 DYRK1A (0.41) ALDH1A1HPGDHSD17B10SORDCYP3A4
SCHEMBL22262720 0.74 ACHE (0.39) ACHESORDACACB
SCHEMBL16815333 0.73 ACHE (0.50) ACHESORD

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-20200255451-A1 MACROCYCLIC MCL-1 INHIBITORS AND METHODS OF USE ABBVIE INC (US) 2020-08-13 — — 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-20200255451-A1 MACROCYCLIC MCL-1 INHIBITORS AND METHODS OF USE MCL1, BCL2A1, BCL2L10 ACHE 4299/4885KDM4E 1735/4885ALDH1A1 647/4885

“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.

Send feedback