SCHEMBL3316671

SCHEMBL3316671

CCC(CC)C(O)c1ncnn1Cc1ccc(OC)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPBWR1 P48145 5/20 0.40
MAPT P10636 3/20 0.39
KDM4E B2RXH2 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38
ALDH1A1 P00352 3/20 0.37
LMNA P02545 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
ALOX15 P16050 1/20 0.37
CMA1 P23946 1/20 0.37
MCHR1 Q99705 1/20 0.37
UCHL1 P09936 1/20 0.36
PDE1B Q01064 3/20 0.36
DGAT1 O75907 1/20 0.36
POLB P06746 1/20 0.36
RXFP1 Q9HBX9 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
SCHEMBL3319310 0.85 TSHR (0.42) ALDH1A1
SCHEMBL3318208 0.85 HTT (0.48) MAPTCYP1A2CYP2D6CYP2C19ALDH1A1
SCHEMBL3318983 0.84 HTT (0.39) MAPTKDM4EALDH1A1
SCHEMBL3318864 0.84 SMN1; SMN2 (0.44) ALDH1A1LMNASMN1; SMN2POLB
SCHEMBL3319395 0.78 NPBWR1 (0.43) NPBWR1MAPTKDM4ETDP1CYP1A2
SCHEMBL3316584 0.77 CYP1A2 (0.61) TDP1CYP1A2CYP2D6CYP2C19LMNA
SCHEMBL12597291 0.73 ALDH1A1 (0.50) NPBWR1MAPTKDM4ECNR1CNR2
SCHEMBL30992791 0.73 NPBWR1 (0.51) NPBWR1MAPTKDM4ECNR1CNR2
SCHEMBL3296364 0.72 NPBWR1 (0.45) NPBWR1MAPTKDM4ECNR1CNR2
SCHEMBL16014712 0.72 NPBWR1 (0.47) NPBWR1MAPTKDM4ECNR1CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100144812-A1 Heterocyclic Sulfonamide Inhibitors of Beta Amyloid Production Containing an Azole WYETH LLP (US) 2010-06-10 US disclosed
US-7674813-B2 Heterocyclic sulfonamide inhibitors of beta amyloid production containing an azole WYETH (US) 2010-03-09 US disclosed
EP-1709003-B1 HETEROCYCLIC SULFONAMIDE INHIBITORS OF BETA AMYLOID PRODUCTION CONTAINING AN AZOLE WYETH CORP (US) 2009-09-23 EP disclosed
US-20080249150-A1 HETEROCYCLIC SULFONAMIDE INHIBITORS OF BETA AMYLOID PRODUCTION CONTAINING AN AZOLE WYETH (US) 2008-10-09 US disclosed
US-7399778-B2 Heterocyclic sulfonamide inhibitors of beta amyloid production containing an azole WYETH (US) 2008-07-15 US disclosed
EP-1709003-A1 HETEROCYCLIC SULFONAMIDE INHIBITORS OF BETA AMYLOID PRODUCTION CONTAINING AN AZOLE Wyeth (US) 2006-10-11 EP disclosed
WO-2005073198-A1 HETEROCYCLIC SULFONAMIDE INHIBITORS OF BETA AMYLOID PRODUCTION CONTAINING AN AZOLE WYETH (US) 2005-08-11 WO disclosed
US-20050171180-A1 Heterocyclic sulfonamide inhibtors of beta amyloid production containing an azole WYETH (US) 2005-08-04 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 (3 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-20100144812-A1 Heterocyclic Sulfonamide Inhibitors of Beta Amyloid Production Containing an Azole APP, IAPP, PARK7 NPBWR1 1184/4885MAPT 524/4885KDM4E 2422/4885
US-20080249150-A1 HETEROCYCLIC SULFONAMIDE INHIBITORS OF BETA AMYLOID PRODUCTION CONTAINING AN AZOLE APP, IAPP, PARK7 NPBWR1 1184/4885MAPT 524/4885KDM4E 2422/4885
US-20050171180-A1 Heterocyclic sulfonamide inhibtors of beta amyloid production containing an azole IAPP, APP, CBR3 NPBWR1 1071/4885MAPT 1135/4885KDM4E 2756/4885

“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.