SCHEMBL13301040

SCHEMBL13301040

O=C1CN(C2CC2)C(=O)CN1C1CC1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.47
PKM P14618 1/20 0.36
LMNA P02545 3/20 0.33
ALDH1A1 P00352 2/20 0.33
POLB P06746 2/20 0.33
TSHR P16473 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
TP53 P04637 1/20 0.33
GRM4 Q14833 1/20 0.33
GAA P10253 1/20 0.33
CTSG P08311 1/20 0.33
CMA1 P23946 1/20 0.33
AKR1C3 P42330 1/20 0.32
AKR1C2 P52895 1/20 0.32

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
SCHEMBL10767118 0.86 POLB (0.47) ACHELMNAALDH1A1POLBTSHR
SCHEMBL25045333 0.73 PDE7A (0.40) ACHE
SCHEMBL19766560 0.69 PARP1 (0.35) ACHEALDH1A1TSHRKMT2AGAA
SCHEMBL17892788 0.68 AKR1C3 (0.40) ACHEPKMMEN1KMT2AAKR1C3
SCHEMBL17185334 0.67
SCHEMBL7539678 0.67 CRBN (0.42) ACHEALDH1A1
SCHEMBL6237189 0.66 CTSG (0.45) LMNAALDH1A1POLBTSHRNPSR1
SCHEMBL2176405 0.66 DPP4 (0.43)
SCHEMBL8341378 0.65 PARP2 (0.42) ACHELMNAALDH1A1TP53GAA
SCHEMBL11120401 0.65 OPRM1 (0.40) PKMLMNAALDH1A1POLBTSHR

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-20100145006-A1 SUPRAVALENT COMPOUNDS APLAGEN GMBH (DE) 2010-06-10 US disclosed
US-20090281278-A1 MODIFIED MOLECULES WHICH PROMOTE HEMATOPOIESIS APLAGEN GMBH (DE) 2009-11-12 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-20090281278-A1 MODIFIED MOLECULES WHICH PROMOTE HEMATOPOIESIS EPOR, MPL, THPO ACHE 4876/4885PKM 2205/4885LMNA 3707/4885
US-20100145006-A1 SUPRAVALENT COMPOUNDS FCGR3B, FCGR2A, CD4 ACHE 2636/4885PKM 4628/4885LMNA 4730/4885

“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.