SCHEMBL18908753

SCHEMBL18908753

CC(C)C(=O)NCCCN1CCN(C(C)C)CC1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.55
TP53 P04637 1/20 0.55
DRD2 P14416 1/20 0.53
DRD4 P21917 1/20 0.53
USP2 O75604 1/20 0.52
ALDH1A1 P00352 2/20 0.49
LMNA P02545 2/20 0.47
MAPT P10636 2/20 0.44
GAA P10253 1/20 0.44
MAPK1 P28482 1/20 0.44
HTT P42858 1/20 0.44
ADRA1D P25100 2/20 0.41
ADRA1A P35348 2/20 0.41
ADRA1B P35368 2/20 0.41
MAOB P27338 4/20 0.41
SLC2A1 P11166 1/20 0.41

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
SCHEMBL14520631 0.87 USP2 (0.59) SMN1; SMN2TP53DRD2DRD4USP2
SCHEMBL23407902 0.85 SMN1; SMN2 (0.57) SMN1; SMN2TP53DRD2DRD4USP2
SCHEMBL21107025 0.85 MEN1 (0.45) SMN1; SMN2TP53DRD2DRD4USP2
SCHEMBL12017899 0.85 SMN1; SMN2 (0.56) SMN1; SMN2TP53DRD2DRD4USP2
SCHEMBL21107592 0.84 MEN1 (0.47) SMN1; SMN2TP53DRD2DRD4USP2
SCHEMBL22856287 0.84 MEN1 (0.47) SMN1; SMN2TP53DRD2DRD4USP2
SCHEMBL18028204 0.83 RAD52 (0.55) SMN1; SMN2TP53DRD2DRD4USP2
SCHEMBL13115892 0.83 RAD52 (0.55) SMN1; SMN2TP53DRD2DRD4USP2
SCHEMBL18908763 0.83 SMN1; SMN2 (0.54) SMN1; SMN2TP53DRD2DRD4USP2
SCHEMBL22054371 0.81 SMN1; SMN2 (0.53) SMN1; SMN2TP53DRD2USP2ALDH1A1

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
US-20220119416-A9 BIVALENT BROMODOMAIN INHIBITORS AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2022-04-21 US disclosed
US-20210221826-A1 BIVALENT BROMODOMAIN INHIBITORS AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2021-07-22 US disclosed
WO-2017091673-A2 BIVALENT BROMODOMAIN INHIBTORS AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2017-06-01 WO 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 (2 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-20210221826-A1 BIVALENT BROMODOMAIN INHIBITORS AND USES THEREOF BRD4, BET1, BRD2 SMN1; SMN2 3934/4885TP53 609/4885DRD2 2213/4885
US-20220119416-A9 BIVALENT BROMODOMAIN INHIBITORS AND USES THEREOF BRD4, BET1, BRD2 SMN1; SMN2 3934/4885TP53 609/4885DRD2 2213/4885

“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.