SCHEMBL4049568

SCHEMBL4049568

Cc1ccc(C(C#N)OC2CCCCO2)cc1

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
SLC6A3 Q01959 8/20 0.32
ALDH1A1 P00352 2/20 0.31
KDM4E B2RXH2 1/20 0.31
NPC1 O15118 1/20 0.31
LMNA P02545 1/20 0.31
GAA P10253 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
TSHR P16473 1/20 0.31
HTT P42858 1/20 0.31

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
SCHEMBL4052862 0.85 SLC6A3 (0.41) MEN1KMT2ASLC6A3GAASMN1; SMN2
SCHEMBL4630785 0.81 IDO1 (0.36) SLC6A3
SCHEMBL4631275 0.81 SLC6A3 (0.50) SLC6A3LMNA
SCHEMBL7402400 0.78 PTGER4 (0.42) SLC6A3GAA
SCHEMBL5967551 0.76 SLC6A2 (0.33) MEN1KMT2ASLC6A3
SCHEMBL5157375 0.76 MEN1 (0.34) MEN1KMT2ASLC6A3GAA
SCHEMBL5658347 0.75 MEN1 (0.33) MEN1KMT2ASLC6A3TSHRHTT
SCHEMBL5658339 0.75 MEN1 (0.33) MEN1KMT2ASLC6A3TSHRHTT
SCHEMBL10519881 0.73 KDM4C (0.36) MEN1KMT2ASLC6A3ALDH1A1KDM4E
SCHEMBL11059342 0.72 CHRNA7 (0.43) MEN1KMT2ASLC6A3ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1797094-A4 1,3-DISUBSTITUTED HETEROARYL NMDA/NR2B ANTAGONISTS MERCK & CO INC (US) 2009-06-03 EP disclosed
US-20070293515-A1 1,3-Disubstituted Heteroaryl Nmda/Nr2b Antagonists MERCK SHARP & DOHME CORP. 2007-12-20 US disclosed
US-20070293515-A1 1,3-Disubstituted Heteroaryl Nmda/Nr2b Antagonists MERCK SHARP & DOHME CORP. 2007-12-20 US disclosed
US-20070293515-A1 1,3-Disubstituted Heteroaryl Nmda/Nr2b Antagonists MERCK SHARP & DOHME CORP. 2007-12-20 US disclosed
EP-1797094-A2 1,3-DISUBSTITUTED HETEROARYL NMDA/NR2B ANTAGONISTS Merck & Co. Inc. (US) 2007-06-20 EP disclosed
WO-2006017409-A2 1,3-DISUBSTITUTED HETEROARYL NMDA/NR2B ANTAGONISTS MERCK & CO., INC. (US) 2006-02-16 WO disclosed
WO-2006017409-A2 1,3-DISUBSTITUTED HETEROARYL NMDA/NR2B ANTAGONISTS MERCK & CO., INC. (US) 2006-02-16 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 (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-20070293515-A1 1,3-Disubstituted Heteroaryl Nmda/Nr2b Antagonists GRIN2B, GRIN2A, GRIN1 MEN1 3222/4885KMT2A 606/4885SLC6A3 441/4885

“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.