SCHEMBL2995818

SCHEMBL2995818

CCCCOC(=O)N1CCOCC1CN

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.54
POLB P06746 2/20 0.54
LMNA P02545 2/20 0.54
GBA2 Q9HCG7 1/20 0.40
MAPT P10636 3/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
PDK1 Q15118 4/20 0.36
TSHR P16473 2/20 0.36
PDK2 Q15119 1/20 0.35
PDK3 Q15120 1/20 0.35
HTT P42858 1/20 0.35
ALDH1A1 P00352 2/20 0.34
RECQL P46063 1/20 0.33
THRB P10828 1/20 0.33
KMT2A Q03164 1/20 0.33
ATM Q13315 1/20 0.33

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
SCHEMBL35211290 1.00 SMN1; SMN2 (0.54) SMN1; SMN2POLBLMNAGBA2MAPT
SCHEMBL16090883 0.87 TSHR (0.47) SMN1; SMN2POLBLMNAMAPTRAB9A
Hydrochloric Acid SCHEMBL30567869 0.86 TSHR (0.46) SMN1; SMN2POLBLMNAMAPTRAB9A
SCHEMBL1439521 0.82 LMNA (0.49) SMN1; SMN2POLBLMNAGBA2MAPT
SCHEMBL12870626 0.81 SMN1; SMN2 (0.54) SMN1; SMN2POLBLMNAGBA2MAPT
SCHEMBL3938079 0.80 SMN1; SMN2 (0.47) SMN1; SMN2POLBLMNAGBA2MAPT
SCHEMBL3939212 0.80 SMN1; SMN2 (0.47) SMN1; SMN2POLBLMNAGBA2MAPT
SCHEMBL19757289 0.80 PDK1 (0.43) SMN1; SMN2LMNAPDK1TSHRPDK2
SCHEMBL3712797 0.80 SMN1; SMN2 (0.55) SMN1; SMN2POLBLMNAGBA2MAPT
SCHEMBL28194933 0.80 POLB (0.55) SMN1; SMN2POLBLMNAGBA2MAPT

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-8283361-B2 Heterocyclic urea derivatives and methods of use thereof ASTRAZENECA AB (SE) 2012-10-09 US disclosed
US-20100190745-A1 HETEROCYCLIC UREA DERIVATIVES AND METHODS OF USE THEREOF ASTRAZENECA AB (SE) 2010-07-29 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 (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-20100190745-A1 HETEROCYCLIC UREA DERIVATIVES AND METHODS OF USE THEREOF UROD, UMPS, SLC14A1 SMN1; SMN2 3620/4885POLB 831/4885LMNA 2705/4885

“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.