SCHEMBL3540198

SCHEMBL3540198

[c]1cc(N2CCNCC2)ccn1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLD1 Q13393 2/20 0.60
ADRB2 P07550 1/20 0.60
NCF1 P14598 1/20 0.60
ADRB1 P08588 10/20 0.48
HTR3E A5X5Y0 5/20 0.48
HTR3B O95264 5/20 0.48
HTR3A P46098 5/20 0.48
HTR3D Q70Z44 5/20 0.48
HTR3C Q8WXA8 5/20 0.48
SIGMAR1 Q99720 5/20 0.48
CHRNB2 P17787 2/20 0.44
CHRNA4 P43681 2/20 0.44
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CHRM2 P08172 1/20 0.41
CHRM4 P08173 1/20 0.41
CHRM1 P11229 1/20 0.41
CHRM3 P20309 1/20 0.41
TP53 P04637 1/20 0.41
CYP1A2 P05177 1/20 0.41

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
SCHEMBL2418954 0.82 CHKA (0.56) PLD1ADRB2NCF1CHRNB2CHRNA4
SCHEMBL4466850 0.80 CHKA (0.54) PLD1ADRB2NCF1KDM4EALDH1A1
SCHEMBL4466700 0.77 LMNA (0.48) PLD1ADRB2NCF1KDM4EALDH1A1
SCHEMBL8925000 0.77 HRH4 (0.46) HTR3AKDM4EALDH1A1HTT
SCHEMBL74335 0.75 ADRB2 (1.00) PLD1ADRB2NCF1ADRB1HTR3E
SCHEMBL894239 0.75 ADRB2 (1.00) PLD1ADRB2NCF1ADRB1HTR3E
Hydrochloric Acid SCHEMBL639824 0.74 ADRB2 (0.96) PLD1ADRB2NCF1ADRB1HTR3E
Bromide SCHEMBL9067259 0.72 ADRB2 (0.92) PLD1ADRB2NCF1ADRB1HTR3E
SCHEMBL26614326 0.72 CHRNB2 (0.50) PLD1ADRB2NCF1ADRB1HTR3E
SCHEMBL5570604 0.71 ADRB1 (0.77) PLD1ADRB2NCF1ADRB1HTR3E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100317653-A1 OXADIAZOLE DERIVATIVES AS DGAT INHIBITORS ASTRAZENECA AB (SE) 2010-12-16 US claimed
US-20080096874-A1 Oxadiazole Derivative as Dgat Inhibitors ASTRAZENECA AB (SE) 2008-04-24 US claimed
EP-1833806-A1 OXADIAZOLE DERIVATIVES AS DGAT INHIBITORS AstraZeneca AB (SE) 2007-09-19 EP claimed
WO-2006064189-A1 OXADIAZOLE DERIVATIVES AS DGAT INHIBITORS ASTRAZENECA AB (SE) 2006-06-22 WO claimed
US-20100317653-A1 OXADIAZOLE DERIVATIVES AS DGAT INHIBITORS ASTRAZENECA AB (SE) 2010-12-16 US disclosed
US-7795283-B2 Oxadiazole derivative as DGAT inhibitors ASTRAZENECA AB (SE) 2010-09-14 US disclosed
US-20080096874-A1 Oxadiazole Derivative as Dgat Inhibitors ASTRAZENECA AB (SE) 2008-04-24 US disclosed
EP-1833806-A1 OXADIAZOLE DERIVATIVES AS DGAT INHIBITORS AstraZeneca AB (SE) 2007-09-19 EP disclosed
WO-2006064189-A1 OXADIAZOLE DERIVATIVES AS DGAT INHIBITORS ASTRAZENECA AB (SE) 2006-06-22 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-20100317653-A1 OXADIAZOLE DERIVATIVES AS DGAT INHIBITORS DGAT1, DGAT2, GPR119 PLD1 2008/4885ADRB2 662/4885NCF1 3702/4885
US-20080096874-A1 Oxadiazole Derivative as Dgat Inhibitors DGAT1, DGAT2, GPR119 PLD1 2000/4885ADRB2 659/4885NCF1 3776/4885

“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.