SCHEMBL21152760

SCHEMBL21152760

CC(N)C1CC(=O)N(C(C)C)C1=O

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.39
GAA P10253 4/20 0.39
ALDH1A1 P00352 4/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ALOX12 P18054 1/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
MME P08473 1/20 0.32
CYP19A1 P11511 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
MCOLN3 Q8TDD5 1/20 0.30

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
SCHEMBL4461827 0.83 MAPT (0.41) MAPTGAAALDH1A1NPC1RAB9A
SCHEMBL24113818 0.82 ALDH1A1 (0.35) MAPTGAAALDH1A1NPC1RAB9A
SCHEMBL20226663 0.82 MAPT (0.40) MAPTGAAALDH1A1NPC1RAB9A
SCHEMBL19121034 0.80 MAPT (0.39) MAPTGAAALDH1A1NPC1RAB9A
SCHEMBL23140222 0.80 MAPT (0.41) MAPTGAAALDH1A1NPC1RAB9A
SCHEMBL21152368 0.77 ALDH1A1 (0.37) MAPTGAAALDH1A1NPC1RAB9A
SCHEMBL14275617 0.75 MAPT (0.41) MAPTGAAALDH1A1NPC1RAB9A
SCHEMBL20798481 0.74 MAPT (0.35) MAPTGAAALDH1A1NPC1RAB9A
SCHEMBL24611277 0.73
SCHEMBL23073402 0.73 ALDH1A1 (0.43) ALDH1A1RAB9ASMN1; SMN2CYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3612537-B1 PYRROLOBENZODIAZEPINE CONJUGATES MEDIMMUNE LTD (GB) 2022-07-13 EP disclosed
EP-3191490-B1 PYRROLOBENZODIAZEPINES AND CONJUGATES THEREOF MEDIMMUNE LTD (GB) 2019-08-07 EP disclosed
US-20190209702-A1 STEROIDS AND ANTIBODY-CONJUGATES THEREOF REGENERON PHARMACEUTICALS, INC. 2019-07-11 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-20190209702-A1 STEROIDS AND ANTIBODY-CONJUGATES THEREOF SERPINA6, NR3C1, NR3C2 MAPT 2910/4885GAA 2471/4885ALDH1A1 3861/4885

“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.