SCHEMBL4515274

SCHEMBL4515274

COC(=O)C1CCN(C2CCCCC2)C1=O

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
ALDH1A1 P00352 4/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
HSD11B1 P28845 1/20 0.39
NPSR1 Q6W5P4 2/20 0.39
ATM Q13315 1/20 0.39
POLB P06746 2/20 0.38
FKBP1A P62942 1/20 0.37
GAA P10253 1/20 0.37
TP53 P04637 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
SCHEMBL33525835 0.87 FKBP1A (0.37) NPC1RAB9AKMT2ASMN1; SMN2ALDH1A1
SCHEMBL893008 0.80 POLB (0.49) KMT2ASMN1; SMN2ALDH1A1CYP3A4CYP2C9
SCHEMBL14230530 0.80 POLB (0.49) KMT2ASMN1; SMN2ALDH1A1CYP3A4CYP2C9
SCHEMBL24603693 0.78 FPR2 (0.53) NPC1RAB9AKMT2AALDH1A1TP53
SCHEMBL23227312 0.74 SMN1; SMN2 (0.41) SMN1; SMN2ALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL20351103 0.74 SMN1; SMN2 (0.41) SMN1; SMN2ALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL3105740 0.74 BRD4 (0.44) SMN1; SMN2FKBP1ATP53
SCHEMBL19559460 0.74 MAPT (0.44) KMT2ASMN1; SMN2ALDH1A1CYP3A4NPSR1
SCHEMBL4513971 0.74 ABCB1 (0.43) KMT2ACYP3A4CYP2C9CYP2C19HSD11B1
SCHEMBL19559454 0.73 CYP1A2 (0.38) KMT2ASMN1; SMN2TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090264650-A1 Prophylactic/Therapeutic Agent for Diabetes TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-22 US disclosed
US-20090264650-A1 Prophylactic/Therapeutic Agent for Diabetes TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-22 US disclosed
US-20090264650-A1 Prophylactic/Therapeutic Agent for Diabetes TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-22 US disclosed
EP-1864971-A1 PROPHYLACTIC/THERAPEUTIC AGENT FOR DIABETES Takeda Pharmaceutical Company Limited (JP) 2007-12-12 EP 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-20090264650-A1 Prophylactic/Therapeutic Agent for Diabetes HSD11B1, HSD17B1, HSD11B2 NPC1 286/4885RAB9A 3524/4885KMT2A 2379/4885

“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.