SCHEMBL12413700

SCHEMBL12413700

CC(C)C(=O)N1CCCC(CN2CCCCC2)C1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.48
KMT2A Q03164 2/20 0.46
KDM4E B2RXH2 1/20 0.46
MEN1 O00255 1/20 0.46
RAB9A P51151 1/20 0.46
CHRM5 P08912 1/20 0.46
ADRA2C P18825 1/20 0.46
GRM5 P41594 1/20 0.42
GRM7 Q14831 1/20 0.42
GRM3 Q14832 1/20 0.42
HRH3 Q9Y5N1 1/20 0.39
MAPT P10636 3/20 0.39
CCR2 P41597 4/20 0.38
KCNH2 Q12809 3/20 0.38
ACHE P22303 1/20 0.38
CHRNB2 P17787 1/20 0.37
CHRNA3 P32297 1/20 0.37
CHRNA4 P43681 1/20 0.37
CHRNB3 Q05901 1/20 0.37
CHRNA6 Q15825 1/20 0.37

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 0.98 SMN1; SMN2 (0.45) SMN1; SMN2KMT2AKDM4EMEN1RAB9A
SCHEMBL12413654 0.91 MAPT (0.43) SMN1; SMN2CHRM5ADRA2CMAPTCHRNB2
SCHEMBL12506198 0.83 SMN1; SMN2 (0.51) SMN1; SMN2KMT2AKDM4EMEN1RAB9A
SCHEMBL24837546 0.82 ACHE (0.43) SMN1; SMN2KMT2AKDM4EMEN1GRM5
SCHEMBL19755880 0.81 DPP8 (0.47) KMT2AMEN1MAPTCHRNB2CHRNA3
SCHEMBL4546628 0.81 LIPE (0.50) SMN1; SMN2KMT2AKDM4EMEN1RAB9A
SCHEMBL19755668 0.81 LIPE (0.50) SMN1; SMN2KMT2AKDM4EMEN1RAB9A
SCHEMBL23862450 0.81 SMN1; SMN2 (0.53) SMN1; SMN2KMT2AKDM4EMEN1RAB9A
SCHEMBL3926743 0.81 SMN1; SMN2 (0.53) SMN1; SMN2KMT2AKDM4EMEN1RAB9A
SCHEMBL12506248 0.81 SMN1; SMN2 (0.49) SMN1; SMN2KMT2AKDM4EMEN1RAB9A

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-8293729-B2 Compounds, pharmaceutical composition and methods relating thereto BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-10-23 US disclosed
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
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 SMN1; SMN2 1994/4885KMT2A 3551/4885KDM4E 3718/4885

“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.