SCHEMBL4507582

SCHEMBL4507582

CN(C)C(=O)c1ccccc1C1CNCCN1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
SLC6A2 P23975 16/20 0.39
SLC6A4 P31645 16/20 0.39
SLC6A3 Q01959 8/20 0.39
KCNH2 Q12809 4/20 0.39
CYP2D6 P10635 1/20 0.39
ADRA1D P25100 1/20 0.37
ADRA1A P35348 1/20 0.37
ADRA1B P35368 1/20 0.37
KEAP1 Q14145 1/20 0.36

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
SCHEMBL15203701 0.82 PARP1 (0.44) PARP1SMN1; SMN2SLC6A2SLC6A4SLC6A3
SCHEMBL30109175 0.82 PARP1 (0.44) PARP1SMN1; SMN2SLC6A2SLC6A4SLC6A3
SCHEMBL3254494 0.81 PARP1 (0.55) PARP1ADRA1A
SCHEMBL4516849 0.80 SLC6A2 (0.44) PARP1MEN1KMT2ASMN1; SMN2SLC6A2
Bicarbonate SCHEMBL11624938 0.75 HTR2C (0.44) PARP1SLC6A2SLC6A4SLC6A3
SCHEMBL7672752 0.75 HTR2C (0.51) MEN1KMT2ASMN1; SMN2SLC6A2SLC6A4
Acetic Acid SCHEMBL8435104 0.74 TSHR (0.48) MEN1KMT2ASLC6A2SLC6A4SLC6A3
SCHEMBL31056773 0.74 CYP2C9 (0.40) PARP1KMT2ASLC6A2SLC6A4SLC6A3
SCHEMBL27977978 0.73 PARP1 (0.40) PARP1MEN1KMT2ASLC6A2SLC6A4
SCHEMBL31056891 0.72 PARP1 (0.44) PARP1KMT2ASMN1; SMN2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7560460-B2 Substituted piperazines and methods of use AMGEN INC. (US) 2009-07-14 US disclosed
EP-1417190-B1 SUBSTITUTED PIPERAZINES AS MODULATORS OF THE MELANOCORTIN RECEPTOR AMGEN INC (US) 2008-10-22 EP disclosed
US-20070265248-A1 Substituted piperazines and methods of use AMGEN INC. (US) 2007-11-15 US disclosed
US-7115607-B2 Substituted piperazinyl amides and methods of use AMGEN INC. (US) 2006-10-03 US disclosed
US-20030220324-A1 Substituted piperazines and methods of use AMGEN INC. 2003-11-27 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-20030220324-A1 Substituted piperazines and methods of use MC5R, MC4R, MC1R PARP1 3070/4885MEN1 1339/4885KMT2A 1330/4885
US-20070265248-A1 Substituted piperazines and methods of use MC5R, MC4R, MC1R PARP1 3070/4885MEN1 1339/4885KMT2A 1330/4885

“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.