SCHEMBL25527588

SCHEMBL25527588

CC(=O)NCC1CCC(O)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.50
FUCA1 P04066 1/20 0.42
CACNA1H O95180 1/20 0.41
GLA P06280 1/20 0.40
ALOX15 P16050 1/20 0.40
EPHX1 P07099 2/20 0.39
ADORA2A P29274 1/20 0.39
ADORA2B P29275 1/20 0.39
ADORA1 P30542 1/20 0.39
ALDH1A1 P00352 2/20 0.38
CYP3A4 P08684 2/20 0.38
MTNR1A P48039 2/20 0.38
MTNR1B P49286 2/20 0.38
HPGD P15428 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
MMP1 P03956 1/20 0.37
MMP2 P08253 1/20 0.37

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
SCHEMBL48633 0.91
SCHEMBL13165688 0.91 TDP1 (0.58) TDP1FUCA1CACNA1HGLAALOX15
Hydrochloric Acid SCHEMBL4553435 0.89
SCHEMBL21695528 0.88 TDP1 (0.42) TDP1FUCA1CACNA1HGLAALOX15
SCHEMBL10106981 0.84 TDP1 (0.52) TDP1FUCA1CACNA1HGLAALOX15
SCHEMBL23136944 0.83 TDP1 (0.50) TDP1FUCA1CACNA1HGLAALOX15
SCHEMBL14438969 0.83 TDP1 (0.50) TDP1FUCA1CACNA1HGLAALOX15
SCHEMBL4283065 0.83 TDP1 (0.50) TDP1FUCA1CACNA1HGLAALOX15
SCHEMBL4761476 0.83 TDP1 (0.50) TDP1FUCA1CACNA1HGLAALOX15
SCHEMBL4761479 0.83 TDP1 (0.50) TDP1FUCA1CACNA1HGLAALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230174540-A1 3-(Carboxymethyl)-8-Amino-2-Oxo-1,3-Diaza-Spiro-[4.5]-Decane Derivatives GRUENENTHAL GMBH (DE) 2023-06-08 US disclosed
WO-2023093787-A1 BENZODIAZEPINE COMPOUND AND APPLICATION THEREOF AS RHO KINASE INHIBITOR 成都奥睿药业有限公司 2023-06-01 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 (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-20230174540-A1 3-(Carboxymethyl)-8-Amino-2-Oxo-1,3-Diaza-Spiro-[4.5]-Decane Derivatives OPRK1, OPRD1, PKD2 TDP1 2069/4885FUCA1 4495/4885CACNA1H 170/4885

“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.