SCHEMBL3318073

SCHEMBL3318073

CCC(CC)C(N)c1ccnn1Cc1ccc(OC)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPBWR1 P48145 8/20 0.43
MCHR1 Q99705 1/20 0.40
SLC6A4 P31645 1/20 0.39
PSEN1 P49768 1/20 0.39
PSEN2 P49810 1/20 0.39
APH1B Q8WW43 1/20 0.39
NCSTN Q92542 1/20 0.39
APH1A Q96BI3 1/20 0.39
PSENEN Q9NZ42 1/20 0.39
SIGMAR1 Q99720 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
KDM4E B2RXH2 2/20 0.38
MAPT P10636 2/20 0.38
ALDH1A1 P00352 1/20 0.38
ALOX15 P16050 1/20 0.38
CMA1 P23946 1/20 0.38

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
SCHEMBL3319412 0.86 NPBWR1 (0.45) NPBWR1MCHR1SLC6A4SIGMAR1CYP1A2
SCHEMBL3319395 0.84 NPBWR1 (0.43) NPBWR1MCHR1PSEN1PSEN2APH1B
SCHEMBL3319321 0.83 NPBWR1 (0.47) NPBWR1MCHR1SLC6A4SIGMAR1CYP1A2
SCHEMBL3318059 0.82 NPBWR1 (0.43) NPBWR1MCHR1SLC6A4SIGMAR1CYP1A2
SCHEMBL27678475 0.79 NPBWR1 (0.39) NPBWR1MCHR1PSEN1PSEN2APH1B
SCHEMBL3317044 0.78 HIF1A (0.42) NPBWR1MCHR1CYP2C9KDM4EMAPT
SCHEMBL27884292 0.78 NPBWR1 (0.47) NPBWR1MCHR1SLC6A4SIGMAR1KDM4E
SCHEMBL3319942 0.78 NPBWR1 (0.47) NPBWR1MCHR1SIGMAR1CYP1A2CYP2D6
SCHEMBL3319544 0.76 NPBWR1 (0.43) NPBWR1MCHR1SIGMAR1CYP1A2CYP2D6
SCHEMBL3320616 0.76 NPBWR1 (0.45) NPBWR1MCHR1SIGMAR1CYP1A2CYP2D6

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 1184/4885MCHR1 1863/4885SLC6A4 2751/4885
US-20080249150-A1 HETEROCYCLIC SULFONAMIDE INHIBITORS OF BETA AMYLOID PRODUCTION CONTAINING AN AZOLE APP, IAPP, PARK7 NPBWR1 1184/4885MCHR1 1863/4885SLC6A4 2751/4885
US-20050171180-A1 Heterocyclic sulfonamide inhibtors of beta amyloid production containing an azole IAPP, APP, CBR3 NPBWR1 1071/4885MCHR1 1376/4885SLC6A4 2080/4885

“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.