SCHEMBL15029445

SCHEMBL15029445

C[C@H](N)C(=O)N1CCC(CN2CCCCC2)CC1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.48
CHRM5 P08912 1/20 0.47
ADRA2C P18825 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.45
TP53 P04637 1/20 0.45
GAA P10253 1/20 0.44
THRB P10828 4/20 0.43
LMNA P02545 3/20 0.43
SMYD3 Q9H7B4 1/20 0.41
POLB P06746 1/20 0.41

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
SCHEMBL12413703 0.85 MAPT (0.48) MAPTCHRM5ADRA2CSMN1; SMN2TP53
SCHEMBL30502329 0.80 CACNA2D1 (0.39) SMYD3
SCHEMBL2777721 0.78 CHRM5 (0.55) MAPTCHRM5ADRA2CSMN1; SMN2TP53
SCHEMBL8612552 0.77 DPP4 (0.46) SMYD3
SCHEMBL856280 0.77 DPP4 (0.46) SMYD3
SCHEMBL5891316 0.77 DPP4 (0.46) SMYD3
SCHEMBL16935735 0.77 DPP4 (0.46) SMYD3
SCHEMBL27425177 0.77 CACNA2D1 (0.45) MAPTSMN1; SMN2GAA
SCHEMBL3165975 0.76 CHRM5 (0.57) MAPTCHRM5ADRA2CSMN1; SMN2TP53
SCHEMBL12506852 0.76 CHRM5 (0.52) MAPTCHRM5ADRA2CSMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2604601-A1 HETERO RING COMPOUND Astellas Pharma Inc. (JP) 2013-06-19 EP disclosed
US-20130150364-A1 HETEROCYCLIC COMPOUND ASTELLAS PHARMA INC. (JP) 2013-06-13 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-20130150364-A1 HETEROCYCLIC COMPOUND IL2, NFATC1, ICOS MAPT 4867/4885CHRM5 4704/4885ADRA2C 797/4885

“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.