SCHEMBL4513699

SCHEMBL4513699

CN(c1ccccc1N1CCN(C(=O)O)CC1)S(C)(=O)=O

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.50
KMT2A Q03164 3/20 0.46
HTT P42858 2/20 0.46
MEN1 O00255 2/20 0.46
MAPT P10636 1/20 0.46
CTDSP1 Q9GZU7 1/20 0.42
POLB P06746 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
RBP4 P02753 1/20 0.42
REV1 Q9UBZ9 1/20 0.41
ALDH1A1 P00352 1/20 0.41
GPR6 P46095 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
SCHEMBL4520958 0.83 MC4R (0.49) TSHRKMT2AMAPTSMN1; SMN2ALDH1A1
SCHEMBL14355839 0.82 HTR6 (0.50) TSHRKMT2AMAPTSMN1; SMN2ALDH1A1
SCHEMBL4529470 0.79 MC4R (0.57) TSHRKMT2AHTTMEN1MAPT
SCHEMBL14356029 0.78 ADRB1 (0.50) TSHRMAPT
SCHEMBL4524859 0.73 NPY5R (0.52) TSHRKMT2AMEN1POLBSMN1; SMN2
SCHEMBL631024 0.72 AKR1C3 (0.65) TSHRKMT2AHTTPOLBALDH1A1
SCHEMBL2857040 0.71 AKR1C3 (0.64) KMT2AHTTMEN1MAPTSMN1; SMN2
SCHEMBL11087705 0.71 KDM4E (0.49) TSHRKMT2AMEN1MAPTSMN1; SMN2
SCHEMBL1491206 0.71 KMT2A (0.64) KMT2AHTTMEN1MAPTSMN1; SMN2
SCHEMBL20141848 0.69 EED (0.40) TSHRKMT2AMEN1MAPTSMN1; 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 4 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
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 TSHR 271/4885KMT2A 1330/4885HTT 497/4885
US-20070265248-A1 Substituted piperazines and methods of use MC5R, MC4R, MC1R TSHR 271/4885KMT2A 1330/4885HTT 497/4885

“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.