SCHEMBL3310495

SCHEMBL3310495

CN1CCC(NS(=O)(=O)N2CCN(Cc3ccccc3)CC2)CC1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MC4R P32245 1/20 0.58
HTT P42858 1/20 0.56
KMT2A Q03164 6/20 0.56
MEN1 O00255 3/20 0.55
SMN1; SMN2 Q16637 2/20 0.52
RECQL P46063 1/20 0.52
ALDH1A1 P00352 3/20 0.52
THRB P10828 1/20 0.52
BCHE P06276 1/20 0.50
ACHE P22303 1/20 0.50
BACE1 P56817 1/20 0.50
TP53 P04637 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
USP2 O75604 1/20 0.50
TSHR P16473 2/20 0.49
MAPT P10636 1/20 0.49
POLB P06746 1/20 0.49
CYP2D6 P10635 1/20 0.49
SIGMAR1 Q99720 1/20 0.49

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
SCHEMBL2098424 0.81 ALDH1A1 (0.70) HTTKMT2AMEN1SMN1; SMN2RECQL
SCHEMBL6752179 0.80 HTT (0.65) HTTKMT2AMEN1SMN1; SMN2RECQL
SCHEMBL3316924 0.80 MC4R (0.64) MC4RKMT2AMEN1BCHEACHE
SCHEMBL14042381 0.80 SIGMAR1 (0.58) MC4RSMN1; SMN2RECQLALDH1A1TSHR
SCHEMBL6335815 0.79 HTT (0.67) HTTKMT2AMEN1SMN1; SMN2RECQL
SCHEMBL13432184 0.78 MC4R (0.70) MC4RSMN1; SMN2RECQLALDH1A1BCHE
SCHEMBL6749008 0.77 HTT (0.65) HTTKMT2AMEN1SMN1; SMN2RECQL
SCHEMBL6749288 0.77 HTT (0.65) HTTKMT2AMEN1SMN1; SMN2RECQL
SCHEMBL19734218 0.77 NPSR1 (0.61) HTTKMT2AMEN1SMN1; SMN2RECQL
SCHEMBL6965515 0.76 HTT (0.85) HTTKMT2AMEN1SMN1; SMN2RECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100113411-A1 Selected CGRP antagonists, processes for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2010-05-06 US disclosed
US-7595312-B2 Selected CGRP antagonists, processes for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2009-09-29 US disclosed
EP-1558600-B1 SELECTED CGRP ANTAGONISTS, METHOD FOR PRODUCTION AND USE THEREOF AS MEDICAMENT BOEHRINGER INGELHEIM PHARMA (DE) 2008-05-07 EP disclosed
US-20060079504-A1 Selected CGRP antagonists, processes for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO., KG (DE) 2006-04-13 US disclosed
EP-1558600-A1 SELECTED CGRP ANTAGONISTS, METHOD FOR PRODUCTION AND USE THEREOF AS MEDICAMENT BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2005-08-03 EP disclosed
WO-2004037810-A1 SELECTED CGRP ANTAGONISTS, METHOD FOR PRODUCTION AND USE THEREOF AS MEDICAMENT BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-05-06 WO 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-20100113411-A1 Selected CGRP antagonists, processes for preparing them and their use as pharmaceutical compositions CALCRL, CALCR, CALCA MC4R 371/4885HTT 2324/4885KMT2A 4776/4885
US-20060079504-A1 Selected CGRP antagonists, processes for preparing them and their use as pharmaceutical compositions CALCRL, CALCR, CALCA MC4R 371/4885HTT 2324/4885KMT2A 4776/4885

“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.