SCHEMBL5347221

SCHEMBL5347221

NCC1CCN(S(=O)(=O)CCc2ccc(F)cc2)CC1

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
GPR183 P32249 1/20 0.45
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
MAOB P27338 1/20 0.40
FAAH O00519 1/20 0.40
KDM1A O60341 1/20 0.39
TAAR1 Q96RJ0 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
SCHEMBL5365327 0.86 KMT2A (0.51) LMNASMN1; SMN2HDAC6MAOBFAAH
SCHEMBL5352124 0.86 LMNA (0.60) LMNASMN1; SMN2HDAC6FAAH
SCHEMBL6535883 0.83 LMNA (0.48) LMNASMN1; SMN2L3MBTL1GPR183HTR2A
SCHEMBL5355745 0.77 GRIN2B (0.57) LMNASMN1; SMN2GPR183HDAC6FAAH
SCHEMBL3600688 0.75 HTR2A (0.57) HTR2AHTR2C
SCHEMBL5366612 0.75 HDAC6 (0.52) LMNASMN1; SMN2HDAC6
SCHEMBL5352632 0.74 LMNA (0.48) LMNASMN1; SMN2GPR183HDAC6
SCHEMBL5212781 0.74 L3MBTL1 (0.56) L3MBTL1HTR2AHTR2C
Hydrochloric Acid SCHEMBL30843800 0.74 KCNH2 (0.56) HTR2AHTR2C
SCHEMBL5798436 0.73 HRH1 (0.51) LMNASMN1; SMN2L3MBTL1GPR183FAAH

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100567293-C Non-aryl-heterocycle NMDA/NR2B antagonist that N-replaces MERCK & CO INC (US) 2009-12-09 CN disclosed
US-7259157-B2 N-substituted nonaryl-heterocyclo amidyl NMDA/NR2B Antagonists MERCK & CO., INC. (US) 2007-08-21 US disclosed
US-7259157-B2 N-substituted nonaryl-heterocyclo amidyl NMDA/NR2B Antagonists MERCK & CO., INC. (US) 2007-08-21 US disclosed
US-7259157-B2 N-substituted nonaryl-heterocyclo amidyl NMDA/NR2B Antagonists MERCK & CO., INC. (US) 2007-08-21 US disclosed
US-7217716-B2 N-substituted nonaryl-heterocyclic NMDA/NR2B antagonists MERCK & CO., INC. (US) 2007-05-15 US disclosed
US-7217716-B2 N-substituted nonaryl-heterocyclic NMDA/NR2B antagonists MERCK & CO., INC. (US) 2007-05-15 US disclosed
US-7217716-B2 N-substituted nonaryl-heterocyclic NMDA/NR2B antagonists MERCK & CO., INC. (US) 2007-05-15 US disclosed
US-7053089-B2 N-substituted nonaryl-heterocyclic NMDA/NR2B antagonists MERCK & CO., INC. (US) 2006-05-30 US disclosed
EP-1379520-B1 N-SUBSTITUTED NONARYL-HETEROCYCLIC NMDA/NR2B ANTAGONISTS MERCK & CO INC (US) 2006-04-26 EP disclosed
EP-1390034-A4 N-SUBSTITUTED NONARYL-HETEROCYCLO AMIDYL NMDA/NR2B ANTAGONISTS MERCK & CO INC (US) 2005-07-13 EP disclosed
EP-1399160-A4 NR2B RECEPTOR ANTAGONISTS FOR THE TREATMENT OR PREVENTION OF MIGRAINES MERCK & CO INC (US) 2004-08-25 EP disclosed
CN-1503793-A N-substituted non-aryl-heterocyclic NMDA/NR2B antagonists 2004-06-09 CN disclosed
EP-1399160-A2 NR2B RECEPTOR ANTAGONISTS FOR THE TREATMENT OR PREVENTION OF MIGRAINES Merck & Co., Inc. (US) 2004-03-24 EP disclosed
EP-1390034-A1 N-SUBSTITUTED NONARYL-HETEROCYCLO AMIDYL NMDA/NR2B ANTAGONISTS Merck & Co., Inc. (US) 2004-02-25 EP disclosed
EP-1379520-A1 N-SUBSTITUTED NONARYL-HETEROCYCLIC NMDA/NR2B ANTAGONISTS Merck & Co., Inc. (US) 2004-01-14 EP disclosed
US-20030119811-A1 N-substituted nonaryl-heterocyclo amidyl NMDA/NR2B Antagonists MERCK SHARP & DOHME CORP. 2003-06-26 US disclosed
WO-2002100352-A2 NR2B RECEPTOR ANTAGONISTS FOR THE TREATMENT OR PREVENTION OF MIGRAINES MERCK & CO., INC. (US) 2002-12-19 WO disclosed
US-20020165241-A1 N-substituted nonaryl-heterocyclic NMDA/NR2B antagonists MERCK SHARP & DOHME LLC 2002-11-07 US disclosed
WO-2002080928-A1 N-SUBSTITUTED NONARYL-HETEROCYCLO AMIDYL NMDA/NR2B ANTAGONISTS MERCK & CO., INC. (US) 2002-10-17 WO disclosed
WO-2002068409-A1 N-SUBSTITUTED NONARYL-HETEROCYCLIC NMDA/NR2B ANTAGONISTS MERCK & CO., INC. (US) 2002-09-06 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-20030119811-A1 N-substituted nonaryl-heterocyclo amidyl NMDA/NR2B Antagonists GRIN1, GRIN2B, GRIN2A LMNA 4716/4885SMN1; SMN2 465/4885L3MBTL1 3939/4885
US-20020165241-A1 N-substituted nonaryl-heterocyclic NMDA/NR2B antagonists GRIN1, GRIN2B, GRIN2A LMNA 4782/4885SMN1; SMN2 505/4885L3MBTL1 4042/4885

“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.