SCHEMBL15043685

SCHEMBL15043685

CN(C)C(=O)CN1CCCN(CC(=O)N(C)C)CCN(CC(=O)N(C)C)CCCN(CC(=O)N(C)C)CC1

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.59
SIGMAR1 Q99720 5/20 0.41
GAA P10253 1/20 0.40
DRD4 P21917 1/20 0.40
DRD2 P14416 1/20 0.39
KDM4E B2RXH2 1/20 0.39
NPC1 O15118 1/20 0.39
LMNA P02545 1/20 0.39
RAB9A P51151 1/20 0.39
HTT P42858 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
BCHE P06276 1/20 0.36

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
SCHEMBL4958458 0.98 ALDH1A1 (0.56) ALDH1A1SIGMAR1GAADRD4DRD2
SCHEMBL8290941 0.93 ALDH1A1 (0.56) ALDH1A1SIGMAR1GAADRD2HTT
SCHEMBL8290942 0.91 ALDH1A1 (0.55) ALDH1A1SIGMAR1GAADRD2HTT
SCHEMBL23269699 0.90 ALDH1A1 (0.51) ALDH1A1SIGMAR1DRD2KDM4ENPC1
SCHEMBL15043617 0.87 ALDH1A1 (0.49) ALDH1A1SIGMAR1NPC1LMNAMEN1
SCHEMBL16556533 0.87 ALDH1A1 (0.49) ALDH1A1SIGMAR1GAADRD4DRD2
SCHEMBL19862568 0.86 SIGMAR1 (0.55) ALDH1A1SIGMAR1NPC1MEN1KMT2A
SCHEMBL12325467 0.84 ALDH1A1 (0.58) ALDH1A1SIGMAR1GAADRD4DRD2
SCHEMBL6998053 0.84 ALDH1A1 (0.58) ALDH1A1SIGMAR1DRD4DRD2KDM4E
SCHEMBL20457594 0.84 ALDH1A1 (0.58) ALDH1A1DRD4DRD2KDM4ENPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113453720-B Dual ligand drug conjugate and uses thereof 同宜医药(苏州)有限公司 2025-05-06 CN disclosed
US-20220175761-A1 BI-LIGAND DRUG CONJUGATE AND USE THEREOF COHERENT BIOPHARMA SUZHOU LTD (CN) 2022-06-09 US disclosed
US-9233971-B2 Lipomacrocycles and uses thereof AGAVE PHARMA, INCORPORATED 2016-01-12 US disclosed
US-9233971-B2 Lipomacrocycles and uses thereof AGAVE PHARMA, INCORPORATED 2016-01-12 US disclosed
US-20130156851-A1 LIPOMACROCYCLES AND USES THEREOF AGAVE PHARMA, INCORPORATED 2013-06-20 US disclosed
US-20130156851-A1 LIPOMACROCYCLES AND USES THEREOF AGAVE PHARMA, INCORPORATED 2013-06-20 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 (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-20220175761-A1 BI-LIGAND DRUG CONJUGATE AND USE THEREOF SLC10A1, CD47, SELPLG ALDH1A1 1722/4885SIGMAR1 1011/4885GAA 319/4885
US-20130156851-A1 LIPOMACROCYCLES AND USES THEREOF LIPC, LIPA, LIPE ALDH1A1 2845/4885SIGMAR1 3061/4885GAA 971/4885

“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.