SCHEMBL12413654

SCHEMBL12413654

CC(C)C(=O)N1CCC(CN2CCCC2)C1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.43
GAA P10253 1/20 0.42
THRB P10828 3/20 0.41
TP53 P04637 1/20 0.40
CHRM5 P08912 1/20 0.40
ADRA2C P18825 1/20 0.40
POLB P06746 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
LMNA P02545 2/20 0.39
DPP8 Q6V1X1 1/20 0.39
DPP7 Q9UHL4 1/20 0.39
CHRNB2 P17787 1/20 0.39
CHRNA3 P32297 1/20 0.39
CHRNA4 P43681 1/20 0.39
CHRNB3 Q05901 1/20 0.39
CHRNA6 Q15825 1/20 0.39

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
SCHEMBL12413702 0.92 SMN1; SMN2 (0.45) MAPTCHRM5ADRA2CSMN1; SMN2CHRNB2
SCHEMBL12413700 0.91 SMN1; SMN2 (0.48) MAPTTP53CHRM5ADRA2CSMN1; SMN2
SCHEMBL12413703 0.90 MAPT (0.48) MAPTGAATHRBTP53CHRM5
SCHEMBL12413727 0.80 KDM4E (0.48) MAPTGAATHRBTP53CHRM5
SCHEMBL18309355 0.80 DPP8 (0.56) DPP8DPP7CHRNB2CHRNA3CHRNA4
SCHEMBL13460002 0.80 CHRNB2 (0.43) DPP8DPP7CHRNB2CHRNA3CHRNA4
SCHEMBL18347962 0.80 CHRNB2 (0.43) DPP8DPP7CHRNB2CHRNA3CHRNA4
SCHEMBL18888844 0.80 DPP8 (0.56) DPP8DPP7CHRNB2CHRNA3CHRNA4
SCHEMBL13819991 0.80 DPP8 (0.56) DPP8DPP7CHRNB2CHRNA3CHRNA4
SCHEMBL13459963 0.80 CHRNB2 (0.43) DPP8DPP7CHRNB2CHRNA3CHRNA4

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-8293729-B2 Compounds, pharmaceutical composition and methods relating thereto BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-10-23 US disclosed
US-20110166116-A1 NEW COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS RELATING THERETO BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-07-07 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-20110166116-A1 NEW COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS RELATING THERETO MC2R, REN, CYP11B2 MAPT 2367/4885GAA 231/4885THRB 2183/4885

“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.